SCHEMBL8969684

SCHEMBL8969684

CCCc1ccccc1CCO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
LIPG Q9Y5X9 1/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
DAO P14920 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL29538286 1.00 TDP1 (0.44) TDP1LIPGCYP4F2CYP4A11HTR1A
Hydrogen Peroxide SCHEMBL29092952 0.87 LIPG (0.45) LIPGHTR1AADRA2AADRA2BADRA2C
SCHEMBL29488434 0.87 ADRA2B (0.44) LIPGHTR1AADRA2AADRA2BADRA2C
SCHEMBL29534868 0.87 TDP1 (0.55) TDP1CYP4F2CYP4A11PTPN1
SCHEMBL31203 0.87 TDP1 (0.55) TDP1CYP4F2CYP4A11PTPN1
SCHEMBL142479 0.87 ADRA2B (0.44) LIPGHTR1AADRA2AADRA2BADRA2C
SCHEMBL13552185 0.86 LIPG (0.47) LIPGCYP4F2CYP4A11HTR1AADRA2A
SCHEMBL26240073 0.86 LIPG (0.52) TDP1LIPGCYP4F2CYP4A11PPARA
SCHEMBL282444 0.85 CYP4F2 (0.53) LIPGCYP4F2CYP4A11HTR1AADRA2A
SCHEMBL3022571 0.85 GABRA1 (0.48) TDP1CYP4F2CYP4A11GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
CN-109970760-B ACC inhibitors and uses thereof 吉利德阿波罗公司 2022-04-26 CN disclosed
EP-3628320-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2022-03-16 EP disclosed
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
EP-3628320-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2020-04-01 EP disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
EP-0406745-B1 Antibiotic GE 2270 factors A1, A2, A3 and H LEPETIT SPA (IT) 1995-01-25 EP disclosed
US-5139778-A ANTIBIOTIC GE 2270 FACTORS A1, A2, A3 AND H GRUPPO LEPETIT SPA (IT) 1992-08-18 US disclosed
EP-0146053-B1 CHEMICAL PROCESS FOR PREPARING ANTIBIOTIC L 17392 (DEGLUCOTEICOPLANIN) AND ITS SALTS GRUPPO LEPETIT S.p.A. (IT) 1991-12-27 EP disclosed
EP-0240609-B1 ANTIBIOTIC A 40926 N-ACYLAMINOGLUCURONYL AGLYCONS AND ANTIBIOTIC A 40926 AGLYCON GRUPPO LEPETIT S.p.A. (IT) 1991-12-04 EP disclosed
EP-0406745-A1 Antibiotic GE 2270 factors A1, A2, A3 and H GRUPPO LEPETIT S.p.A. (IT) 1991-01-09 EP disclosed
US-4868171-A Antibiotic A 40926 N-acylaminoglucuronyl aglycons and antiobiotic A 40926 aglycon GRUPPO LEPETIT S.P.A. (IT) 1989-09-19 US disclosed
EP-0240609-A2 Antibiotic A 40926 N-acylaminoglucuronyl aglycons and antibiotic A 40926 aglycon GRUPPO LEPETIT S.p.A. (IT) 1987-10-14 EP disclosed
US-4629781-A STRONG ACIDOLYSIS CONTROLLED BY THE USE OF SOLVENT, ACID, CONCENTRATION AND HEATING GRUPPO LEPETIT S.P.A. (IT) 1986-12-16 US disclosed
EP-0146053-A2 Chemical process for preparing antibiotic L 17392 (Deglucoteicoplanin) and its salts GRUPPO LEPETIT S.p.A. (IT) 1985-06-26 EP disclosed
US-4317894-A Low temperature cure coating compositions PPG INDUSTRIES, INC. (US) 1982-03-02 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 (2 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-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TDP1 3955/4885LIPG 397/4885CYP4F2 796/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 TDP1 3955/4885LIPG 397/4885CYP4F2 796/4885

“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.