SCHEMBL6231623

SCHEMBL6231623

COc1ccc2ccc(CN)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2A6 P11509 1/20 0.55
PTGS1 P23219 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
MAOB P27338 3/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGS2 P35354 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.49
RAD52 P43351 1/20 0.47

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
SCHEMBL31380296 0.96 PTGS1 (0.58) CYP1A2CYP2A6PTGS1AKR1C3AKR1C2
SCHEMBL4670544 0.96 PTGS1 (0.58) CYP1A2CYP2A6PTGS1AKR1C3AKR1C2
SCHEMBL9123911 0.85 TAAR1 (0.63) CYP1A2CYP2A6PTGS1AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL11276962 0.84 TAAR1 (0.61) CYP1A2CYP2A6PTGS1AKR1C3AKR1C2
SCHEMBL6348328 0.82 KDM4E (0.48) CYP1A2MAOBKDM4ELMNACYP3A4
SCHEMBL2222717 0.82 CYP1A2 (0.61) CYP1A2CYP2A6PTGS1AKR1C3AKR1C2
SCHEMBL15345584 0.81 AGXT (0.47) CYP1A2CYP2A6AKR1C3AKR1C2NPC1
SCHEMBL29463734 0.81 CYP2A6 (0.52) CYP1A2CYP2A6LOXL2TAAR1
SCHEMBL443528 0.81 CYP2A6 (0.80) CYP1A2CYP2A6PTGS1AKR1C3AKR1C2
SCHEMBL17907448 0.81 CYP2A6 (0.52) CYP1A2CYP2A6LOXL2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN CYP1A2 2821/4885CYP2A6 4004/4885PTGS1 600/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 CYP1A2 98/4885CYP2A6 278/4885PTGS1 3390/4885

“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.