SCHEMBL23978980

SCHEMBL23978980

CC(C)c1cccc(CC(C)c2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.54
PGR P06401 1/20 0.43
SLC2A1 P11166 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
AOC3 Q16853 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ADRB1 P08588 3/20 0.37
ADRB3 P13945 3/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
CTSB P07858 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
SCHEMBL23978956 1.00 PNMT (0.54) PNMTPGRSLC2A1SLC6A2SLC6A4
SCHEMBL26479456 0.88 SLC2A1 (0.48) PNMTPGRSLC2A1SLC6A2ADRB1
SCHEMBL19888756 0.87 PNMT (0.46) PNMTPGRSLC6A2SLC6A4ALDH1A1
SCHEMBL16161632 0.85 PNMT (0.53) PNMTPGRSLC2A1SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL5305718 0.85 PNMT (0.51) PNMTSLC2A1SLC6A2SLC6A4TAAR1
SCHEMBL19478606 0.83 GBA1 (0.41) PNMTPGRSLC2A1ADRB1ADRB3
SCHEMBL254476 0.82 PGR (0.47) PNMTPGRSLC2A1SLC6A2SLC6A4
SCHEMBL29428797 0.82 PGR (0.47) PNMTPGRSLC2A1SLC6A2SLC6A4
SCHEMBL18948879 0.81 PNMT (0.45) PNMTPGRSLC2A1AOC3ALDH1A1
SCHEMBL19492397 0.81 PNMT (0.45) PNMTPGRSLC2A1AOC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO 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-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 PNMT 2802/4885PGR 4008/4885SLC2A1 3173/4885

“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.