SCHEMBL5842822

SCHEMBL5842822

COC(=O)c1c(Cl)cc(C)[n+]([O-])c1Oc1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
GLO1 Q04760 1/20 0.34
TSHR P16473 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
ACHE P22303 1/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CISD2 Q8N5K1 1/20 0.33
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 2/20 0.30
TP53 P04637 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
SCHEMBL5844593 0.92 CYP3A4 (0.33) ALDH1A1TSHRKDM4ECYP3A4ACHE
SCHEMBL5844095 0.78 AR (0.32)
SCHEMBL5845054 0.76 CYP3A4 (0.38) ALDH1A1TSHRKDM4ECYP3A4ACHE
SCHEMBL5845155 0.76 TTR (0.43) ALDH1A1LMNATP53
SCHEMBL22754120 0.72 CYP3A4 (0.50) ALDH1A1GLO1TSHRKDM4ECYP3A4
SCHEMBL5843236 0.71 CRHR1 (0.43) ALDH1A1HTTLMNAMAPT
SCHEMBL10129753 0.70 TSHR (0.47) ALDH1A1GLO1TSHRKDM4ECYP3A4
SCHEMBL5845330 0.69 SCN4A (0.31)
SCHEMBL5845395 0.68 POLB (0.32) POLB
SCHEMBL1036031 0.66 CYP3A4 (0.59) ALDH1A1GLO1TSHRKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
US-6043260-A Method of treating heart failure PFIZER INC (US) 2000-03-28 US disclosed
EP-0951906-A1 Use of 3,6-dimethyl-2-(2,4,6-trimethylphenoxy)-pyridines for treating heart failure Pfizer Products Inc. (US) 1999-10-27 EP disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 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 (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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 ALDH1A1 4423/4885GLO1 4836/4885TSHR 90/4885

“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.