SCHEMBL328762

SCHEMBL328762

COC(=O)CCCCCCl

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KAT2B Q92831 1/20 0.42
FAAH O00519 1/20 0.42
EPHX2 P34913 3/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11862242 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL11860832 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL1365915 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL1366448 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL1363303 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL1363541 0.98
SCHEMBL83390 0.90
SCHEMBL11432928 0.88 ALDH1A1 (0.59) TSHRLMNAALDH1A1RECQLFAAH
SCHEMBL11432924 0.88 ALDH1A1 (0.59) TSHRLMNAALDH1A1RECQLFAAH
SCHEMBL25824485 0.88 TSHR (0.50) TSHRLMNAALDH1A1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104497009-B A kind of simple and convenient process for preparing of Bio 新发药业有限公司 2016-08-24 CN claimed
CN-104497009-A Simple method for preparing D-biotin XINFA PHARMACEUTICAL CO LTD 2015-04-08 CN claimed
CN-102659701-A Synthesis of azacyclo-containing aminohexanoic acid JIANDONG XIU 2012-09-12 CN claimed
CN-102633671-A Method for preparing n-undecarbamide diacid JIANDONG XIU 2012-08-15 CN claimed
US-11124617-B2 Materials coated with calixarenes UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2021-09-21 US disclosed
EP-2836539-B1 MATERIALS COATED WITH CALIXARENES UNIV LIBRE DE BRUXELLES ULB (BE) 2019-09-18 EP disclosed
US-20190233358-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2019-08-01 US disclosed
US-10329232-B2 Materials coated with calixarenes UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2019-06-25 US disclosed
CN-104487496-B The material coated through calixarenes 布鲁塞尔私立大学 2018-09-18 CN disclosed
CN-104497009-B A kind of simple and convenient process for preparing of Bio 新发药业有限公司 2016-08-24 CN disclosed
CN-104497009-A Simple method for preparing D-biotin XINFA PHARMACEUTICAL CO LTD 2015-04-08 CN disclosed
CN-104487496-A Materials coated with calixarenes UNIV LIBRE DE BRUXELLES ULB 2015-04-01 CN disclosed
EP-0156611-B1 INTERMEDIATES FOR THE PREPARATION OF PROSTAGLANDIN ANALOGUES ONO PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 EP disclosed
EP-0260134-A2 Fatty peroxyacids or salts thereof having amide moieties in the fatty chain and low levels of exotherm control agents and detergent compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 1988-03-16 EP disclosed
US-4686063-A STABILIZERS FOR DETERGENT BLEACHES THE PROCTER & GAMBLE COMPANY (US) 1987-08-11 US disclosed
US-4634551-A TEXTILE BLEACHING PROCTER & GAMBLE COMPANY (US) 1987-01-06 US disclosed
US-4622410-A CHEMICAL INTERMEDIATES FOR 6-KETO-PROSTAGLANDINS ONO PHARMACEUTICAL CO. LTD. (JP) 1986-11-11 US disclosed
EP-0170386-A2 Bleaching compounds and compositions comprising fatty peroxy acids, salts thereof, and precursors therefor THE PROCTER & GAMBLE COMPANY (US) 1986-02-05 EP disclosed
EP-0156611-A2 Intermediates for the preparation of prostaglandin analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP disclosed
US-4234744-A Process for the production of aminoacid hydrochlorides/or diaminoacid dihydrochlorides DEUTSCHE GOLD- UND SILBER SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-11-18 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 (3 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-11124617-B2 Materials coated with calixarenes CALD1, CALU, CALR TSHR 3988/4885LMNA 2985/4885ALDH1A1 1356/4885
US-10329232-B2 Materials coated with calixarenes CALU, CALD1, CALR TSHR 3774/4885LMNA 2709/4885ALDH1A1 1645/4885
US-20190233358-A1 MATERIALS COATED WITH CALIXARENES CALD1, CALU, CALR TSHR 3988/4885LMNA 2985/4885ALDH1A1 1356/4885

“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.