SCHEMBL3789232

SCHEMBL3789232

CC(C)(C)Oc1ccc(Cl)cc1OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
HPGD P15428 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
NR1I2 O75469 1/20 0.36
TTR P02766 1/20 0.36
PGR P06401 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HSPA5 P11021 1/20 0.36
CBR1 P16152 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
AGTR1 P30556 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL13876906 0.84 SLC6A2 (0.48) HPGDLMNAMAPTNR1I2TTR
SCHEMBL18195113 0.82 TSHR (0.47) HPGDLMNASLC6A2SLC6A3TSHR
SCHEMBL3780677 0.80 CYP3A4 (0.48) TRPV4HPGDMAPTPGRTSHR
SCHEMBL24252062 0.80 SLC6A4 (0.44) LMNASLC6A2SLC6A3MEN1KMT2A
SCHEMBL3787529 0.80 ALDH1A1 (0.53) HPGDLMNAMAPTTSHRMAPK1
SCHEMBL3824427 0.76 KIF11 (0.43) HPGDMAPTSLC6A2SLC6A3MEN1
SCHEMBL13449768 0.76 KCNH2 (0.32)
SCHEMBL1309428 0.76 HTR2A (0.39) TRPV4HTTSMN1; SMN2SLC6A4
SCHEMBL10202601 0.76 NOS2 (0.43) HPGDMAPTSLC6A2MEN1CYP2D6
SCHEMBL15915347 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-5705702-A REACTING AN ARYL GRIGNARD REAGENT WITH THIONYL CHLORIDE, THEN WITH TRIORGANOSILYL SULFONATE OR TRIORGANOSILYLHALIDE SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-01-06 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TRPV4 1072/4885HPGD 2790/4885LMNA 3250/4885

“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.