SCHEMBL9645837

SCHEMBL9645837

CC(=O)OCCCCC(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 5/20 0.48
TP53 P04637 1/20 0.46
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL4090218 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53CHRM5CHRM1
SCHEMBL9863328 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53CHRM5CHRM1
SCHEMBL7407539 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53CHRM5CHRM1
SCHEMBL7359556 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53CHRM5CHRM1
SCHEMBL5362357 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53CHRM5CHRM1
SCHEMBL7411952 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53CHRM5CHRM1
SCHEMBL7094911 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53CHRM5CHRM1
SCHEMBL19664310 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53CHRM5CHRM1
SCHEMBL3407439 0.93 ALDH1A1 (0.56) ALDH1A1TSHRTP53CHRM5CHRM1
SCHEMBL1830509 0.83

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978473-B1 COMPOUND CONTAINING AN INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF BEIJING AN JIAN XI BIO MEDICAL TECH CO LTD (CN) 2026-05-06 EP disclosed
CN-115461055-B Prodrugs of neuroactive steroids 腾盛博药生物科技有限公司 2025-01-28 CN disclosed
CN-115461055-A Prodrugs of neuroactive steroids 腾盛博药生物科技有限公司 2022-12-09 CN disclosed
EP-3978473-A1 COMPOUND CONTAINING AN INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF Beijing An Jian Xi Bio-Medical Technology Co., Ltd (CN) 2022-04-06 EP disclosed
EP-3252039-B1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF BEIJING AN JIAN XI BIO MEDICAL TECH CO LTD (CN) 2021-11-03 EP disclosed
US-20180022700-A1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF BEIJING AN JIAN XI BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2018-01-25 US disclosed
EP-3252039-A1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF Beijing An Jian Xi Bio-Medical Technology Co., Ltd (CN) 2017-12-06 EP disclosed
EP-0272446-B1 NOVEL ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1992-11-11 EP disclosed
EP-0145739-B1 NOVEL ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1989-02-08 EP disclosed
EP-0274025-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-13 EP disclosed
EP-0273169-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-06 EP disclosed
EP-0272446-A1 Novel antiviral agents SRI INTERNATIONAL (US) 1988-06-29 EP disclosed
WO-1984004748-A2 NOVEL ANTIVIRAL AGENTS 1984-12-06 WO 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 (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-20180022700-A1 COMPOUND CONTAINING INDOLEACETIC ACID CORE STRUCTURE AND USE THEREOF IDO1, TPH1, IDO2 ALDH1A1 380/4885TSHR 262/4885TP53 22/4885

“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.