Dicyclohexylcarbodiimide

Dicyclohexylcarbodiimide

SCHEMBL177067

C(=NC1CCCCC1)=NC1CCCCC1.C[S+](C)[O-]

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MAP2K1MAP2K2

The experimentally established mechanism targets of Dicyclohexylcarbodiimide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.71
HIF1A Q16665 1/20 0.71
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dicyclohexylcarbodiimide SCHEMBL5967555 1.00 EPHX1 (0.71) EPHX1HIF1AALDH1A1CYP1A2
Dicyclohexylcarbodiimide SCHEMBL868032 0.86 EPHX1 (0.71) EPHX1HIF1AALDH1A1CYP1A2
Dicyclohexylcarbodiimide SCHEMBL28858414 0.85 EPHX1 (0.88) EPHX1HIF1AALDH1A1CYP1A2
SCHEMBL15667923 0.84 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
SCHEMBL11842065 0.84 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
SCHEMBL21986399 0.84 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
Dicyclohexylcarbodiimide SCHEMBL303 0.84 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
Dicyclohexylcarbodiimide SCHEMBL3173433 0.84 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
Dicyclohexylcarbodiimide SCHEMBL28613031 0.82 EPHX1 (0.83) EPHX1HIF1AALDH1A1CYP1A2
Dicyclohexylcarbodiimide SCHEMBL2784143 0.82 EPHX1 (0.83) EPHX1HIF1AALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 224 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622613-A Method for synthesizing ibrutinib AOPUTON (SHANGHAI) MEDICAL TECH CO LTD 2016-06-01 CN claimed
CN-105566266-A 15-ketone preparation method NORTHEAST PHARMACEUTICAL GROUP CO LTD 2016-05-11 CN claimed
EP-2091932-B1 SEMI-SYNTHESIS AND ISOLATION OF TAXANE INTERMEDIATES FROM A MIXTURE OF TAXANES CHATHAM BIOTEC LTD (CA) 2013-12-11 EP claimed
US-7838694-B2 Semi-synthesis and isolation of taxane intermediates from a mixture of taxanes CHATHAM BIOTEC, LIMITED (CA) 2010-11-23 US claimed
CN-101104583-B Technique for preparing diacerein by two-step oxidation process SHANGHAI AUSPURE BIOTECHNOLOGY CO LTD 2010-06-02 CN claimed
EP-2091932-A1 SEMI-SYNTHESIS AND ISOLATION OF TAXANE INTERMEDIATES FROM A MIXTURE OF TAXANES Chatham Biotec Ltd. (CA) 2009-08-26 EP claimed
US-20080262250-A1 Semi-Synthesis of Taxane Intermediates and Their Conversion to Paclitaxel and Docetaxel CHATHAM BIOTEC, LIMITED (CA) 2008-10-23 US claimed
US-20080146824-A1 Preparation of paclitaxel and docetaxel, 10-deacetylbaccatin III and baccatin III; antileukemic and tumor inhibitory activity CHATHAM BIOTEC, LIMITED (CA) 2008-06-19 US claimed
EP-1814868-A1 SEMI-SYNTHESIS OF TAXANE INTERMEDIATES AND THEIR CONVERSION TO PACLITAXEL AND DOCETAXEL Chatham Biotec Ltd. (CA) 2007-08-08 EP claimed
US-20070073069-A1 Semi-synthesis and isolation of taxane intermediates from a mixture of taxanes INNOVATIONAL HOLDINGS LLC 2007-03-29 US claimed
US-20070032668-A1 Semi-synthesis of taxane intermediates from a mixture of taxanes INNOVATIONAL HOLDINGS LLC 2007-02-08 US claimed
US-20070027207-A1 Semi-synthesis of taxane intermediates and their conversion to paclitaxel and docetaxel INNOVATIONAL HOLDINGS LLC 2007-02-01 US claimed
CN-1800198-A Method for preparing macrolides half-synthesized antibiotics telithromycin UNIV CHINA PHARMA (CN) 2006-07-12 CN claimed
WO-2005118563-A1 SEMI-SYNTHESIS OF TAXANE INTERMEDIATES AND THEIR CONVERSION TO PACLITAXEL AND DOCETAXEL CHATHAM BIOTEC LTD. (CA) 2005-12-15 WO claimed
US-20050272807-A1 Using protected taxane chemical intermediates; beta-lactam oxazolidine, or oxazoline as blocking agents PHYTOGEN LIFE SCIENCES INC. (CA) 2005-12-08 US claimed
WO-2005105767-A1 SEMI-SYNTHESIS AND ISOLATION OF TAXANE INTERMEDIATES FROM A MIXTURE OF TAXANES CHATHAM BIOTEC LTD. (CA) 2005-11-10 WO claimed
US-20050250954-A1 Semi-synthesis and isolation of taxane intermediates from a mixture of taxanes PHYTOGEN LIFE SCIENCES INC. (CA) 2005-11-10 US claimed
US-20050240036-A1 Semi-synthesis of taxane intermediates from a mixture of taxanes PHYTOGEN LIFE SCIENCES INC. (CA) 2005-10-27 US claimed
CN-116348460-A Preparation method of BTK degradation agent 四川海思科制药有限公司 2023-06-27 CN disclosed
US-3957794-A 3-Amino-2,3,3a,6,7,7a-hexahydro-thieno[3,2-b]pyridin-(4H)5-one HOFFMANN-LA ROCHE INC. (US) 1976-05-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070027207-A1 Semi-synthesis of taxane intermediates and their conversion to paclitaxel and docetaxel DHPS, COASY, SUB1 EPHX1 2904/4885HIF1A 2591/4885ALDH1A1 2291/4885
US-20050272807-A1 Using protected taxane chemical intermediates; beta-lactam oxazolidine, or oxazoline as blocking agents TOP2B, TOP1, TOP2A EPHX1 1996/4885HIF1A 3286/4885ALDH1A1 1077/4885
US-20070032668-A1 Semi-synthesis of taxane intermediates from a mixture of taxanes TUBB3, TBCA, TUBB6 EPHX1 4499/4885HIF1A 4498/4885ALDH1A1 2893/4885
US-20050240036-A1 Semi-synthesis of taxane intermediates from a mixture of taxanes TUBB3, TBCA, TUBB6 EPHX1 4499/4885HIF1A 4498/4885ALDH1A1 2893/4885
US-20080262250-A1 Semi-Synthesis of Taxane Intermediates and Their Conversion to Paclitaxel and Docetaxel DHPS, COASY, SUB1 EPHX1 2904/4885HIF1A 2591/4885ALDH1A1 2291/4885
US-20070073069-A1 Semi-synthesis and isolation of taxane intermediates from a mixture of taxanes TUBB3, TUBB6, TUBA1B EPHX1 4443/4885HIF1A 4037/4885ALDH1A1 3484/4885
US-20080146824-A1 Preparation of paclitaxel and docetaxel, 10-deacetylbaccatin III and baccatin III; antileukemic and tumor inhibitory activity TUBB3, BBC3, TUBA3C EPHX1 4589/4885HIF1A 4035/4885ALDH1A1 3807/4885
US-20050250954-A1 Semi-synthesis and isolation of taxane intermediates from a mixture of taxanes TUBB3, TUBB6, TUBA1B EPHX1 4443/4885HIF1A 4037/4885ALDH1A1 3484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.