SCHEMBL1421

SCHEMBL1421

O=C(O)C1(Cl)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
FFAR3 O14843 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 2/20 0.34
AKR1C1 Q04828 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1477910 1.00 CYP2C19 (0.42) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
Hydrochloric Acid SCHEMBL11825341 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6913628 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6914795 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6917016 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6909889 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6917012 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6914957 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
Hydrochloric Acid SCHEMBL11815475 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2
SCHEMBL6915754 0.97 CYP2C19 (0.41) CYP2C19FFAR3SMN1; SMN2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072656-B Praziquantel synthesis method 江苏诚信药业有限公司 2022-11-25 CN claimed
CN-114957156-A Compound containing benzoxazine structure, resin composition, prepreg and electric copper clad laminate, and preparation method and application thereof 成都科宜高分子科技有限公司 2022-08-30 CN claimed
CN-216778836-U Synthetic cauldron of cyclohexanecarbonyl chloride 山东嘉瑞化工有限公司 2022-06-21 CN claimed
CN-110818767-B Preparation and purification method of 3-O-cyclohexanecarboxyl-11-carbonyl-beta-boswellic acid or analogue thereof 江苏博创园生物医药科技有限公司 2022-06-07 CN claimed
CN-214567833-U Cyclohexanecarboxylic acid chloride receiving device 阜新金丰氟化工有限公司 2021-11-02 CN claimed
CN-212166567-U Rectifying tower for cyclohexanecarbonyl chloride reaction 阜新金丰氟化工有限公司 2020-12-18 CN claimed
CN-210752699-U Synthetic cauldron of cyclohexanecarbonyl chloride 阜新金丰氟化工有限公司 2020-06-16 CN claimed
CN-111072656-A Synthetic method of praziquantel 江苏诚信药业有限公司 2020-04-28 CN claimed
CN-107001359-B process for preparing praziquantel and precursors thereof 默克专利股份有限公司 2019-12-17 CN claimed
EP-3075739-B1 A PENTACYCLIC TRITERPENOID COMPOUND WITH MODIFIED STRUCTURE AND PREPARATION METHOD AND USE THEREOF SUZHOU BOTANY BIOMEDICALS CO LTD (CN) 2018-10-17 EP claimed
US-20170002039-A1 A Pentacyclic Triterpenoid Compound with Modified Structure and Preparation Method and Use Thereof SUZHOU BOTANY BIOMEDICALS CO., LTD. (CN) 2017-01-05 US claimed
EP-3075739-A1 A PENTACYCLIC TRITERPENOID COMPOUND WITH MODIFIED STRUCTURE AND PREPARATION METHOD AND USE THEREOF Suzhou Botany Biomedicals Co., Ltd (CN) 2016-10-05 EP claimed
WO-2016078765-A1 METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF MERCK PATENT GMBH (DE) 2016-05-26 WO claimed
EP-1521828-A2 PRODUCTION OF POLYKETIDES Biotica Technology Limited (GB) 2005-04-13 EP claimed
WO-2004007709-A2 PRODUCTION OF POLYKETIDES BIOTICA TECHNOLOGY LIMITED (GB) 2004-01-22 WO claimed
US-4772678-A HIGH-MOLECULAR-WEIGHT CHAIN-EXTENDED N-HETEROCYCLIC POLYMERS PREPARED USING A NON-OXIDIZING STRONG ACID AS SOLVENT; HIGH-STRENGTH FIBERS, FILMS, FIBRIDS AND STRUCTURES COMMTECH INTERNATIONAL MANAGEMENT CORPORATION (US) 1988-09-20 US claimed
US-4703103-A POLYPHOSPHORIC ACID CATALYST COMMTECH INTERNATIONAL (US) 1987-10-27 US claimed
WO-1985004178-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS SRI INTERNATIONAL (US) 1985-09-26 WO claimed
US-4211727-A CADMIUM BOROHYDRIDE COMPLEX AS REDUCING AGENT SHELL OIL COMPANY (US) 1980-07-08 US claimed
US-4197374-A FOAMS, FILMS, FIBERS, COATINGS, ELASTOMERS BASF WYANDOTTE CORPORATION (US) 1980-04-08 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20170002039-A1 A Pentacyclic Triterpenoid Compound with Modified Structure and Preparation Method and Use Thereof IL17A, NFATC1, RORC CYP2C19 694/4885FFAR3 612/4885SMN1; SMN2 4693/4885

“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.