SCHEMBL4802145

SCHEMBL4802145

COC1=CC[CH]C(c2ccc(Cl)c(Cl)c2)=C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.41
CYP1B1 Q16678 1/20 0.36
MAPK10 P53779 3/20 0.36
SLC6A3 Q01959 7/20 0.35
SLC6A2 P23975 4/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK14 Q16539 1/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
KMO O15229 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
GUSB P08236 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL5887118 0.83 AHR (0.37) AHRCYP1B1SLC6A3SLC6A2PDGFRB
SCHEMBL4811614 0.76 AHR (0.39) AHRCYP1B1SLC6A3
SCHEMBL4805626 0.76 CA12 (0.41)
SCHEMBL4806936 0.76 ACHE (0.35)
SCHEMBL4804654 0.74 ACHE (0.39) MAPK10
SCHEMBL5887546 0.74 DYRK1A (0.44) CYP1B1SLC6A3SLC6A2NOTUM
SCHEMBL4009323 0.74 PTGS2 (0.43) AHRCYP1B1
SCHEMBL4805016 0.73
SCHEMBL5887166 0.72 CYP2A6 (0.34) AKR1C3AKR1C2F2RL3
SCHEMBL6994658 0.69 AHR (0.38) AHRCYP1B1MAPK10SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (4 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R AHR 16/4885CYP1B1 206/4885MAPK10 1016/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR AHR 566/4885CYP1B1 942/4885MAPK10 1116/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 AHR 141/4885CYP1B1 312/4885MAPK10 2580/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R AHR 28/4885CYP1B1 322/4885MAPK10 1196/4885

“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.