SCHEMBL5685486

SCHEMBL5685486

OCC(O)c1ccc2c(c1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.36
NAMPT P43490 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
SCHEMBL22785900 1.00 CYP3A4 (0.42) CYP3A4TSHRADRB2ADRB1ALDH1A1
SCHEMBL22785947 1.00 CYP3A4 (0.42) CYP3A4TSHRADRB2ADRB1ALDH1A1
SCHEMBL5958160 0.98 CYP3A4 (0.41) CYP3A4TSHRADRB2ADRB1ALDH1A1
SCHEMBL22785946 0.96 CYP3A4 (0.42) CYP3A4TSHRADRB2ADRB1ALDH1A1
SCHEMBL5688224 0.96 CYP3A4 (0.42) CYP3A4TSHRADRB2ADRB1ALDH1A1
SCHEMBL22785904 0.96 CYP3A4 (0.42) CYP3A4TSHRADRB2ADRB1ALDH1A1
SCHEMBL9392874 0.79 PDE4D (0.40) CYP3A4ALDH1A1KMT2AHTTHSP90AA1
SCHEMBL4885085 0.77 ADRB2 (0.44) CYP3A4TSHRADRB2ADRB1ALDH1A1
SCHEMBL25594516 0.77 CYP3A4 (0.33) CYP3A4TSHRADRB2ADRB1ALDH1A1
SCHEMBL20933087 0.77 ALDH1A1 (0.37) CYP3A4ADRB2ADRB1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118340754-B Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2025-03-11 CN disclosed
CN-119490387-A Compounds for the treatment of pain-related diseases 源道医药(苏州)有限公司 2025-02-21 CN disclosed
CN-118340754-A Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2024-07-16 CN disclosed
EP-3906969-A1 ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF East China University of Science and Technology (CN) 2021-11-10 EP disclosed
US-20060122064-A1 Amides and method for plant diseases control with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1640360-A1 AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP disclosed
EP-1609360-A1 Fungicidal Composition Sumitomo Chemical Company, Limited (JP) 2005-12-28 EP disclosed
US-20050282888-A1 Fungicidal composition SUMITOMO CHEMICAL COMPANY, LIMITED 2005-12-22 US disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP 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 (3 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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 CYP3A4 3014/4885TSHR 1117/4885ADRB2 3010/4885
US-20060122064-A1 Amides and method for plant diseases control with the same ARG1, ARGLU1, ARG2 CYP3A4 3215/4885TSHR 851/4885ADRB2 2260/4885
US-20050282888-A1 Fungicidal composition DDT, CYP51A1, DDAH1 CYP3A4 178/4885TSHR 3635/4885ADRB2 1828/4885

“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.