SCHEMBL8580894

SCHEMBL8580894

Cc1cc(C(C)(C)C)cnc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HTR1D P28221 5/20 0.35
TSHR P16473 2/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HTR1B P28222 3/20 0.32
KDM4E B2RXH2 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL20047626 0.84 POLB (0.37) POLBHTR1DTSHRGABRA1GABRB2
SCHEMBL19117728 0.84 AGBL2 (0.40) POLBHTR1DTSHRGABRA1GABRB2
SCHEMBL20457092 0.84 AGBL2 (0.47) POLBKDM4EAGBL2TDP1LMNA
SCHEMBL13253377 0.81 HSP90AA1 (0.36) GABRA1GABRB2KDM4EALDH1A1ALOX15
SCHEMBL12169342 0.80 NOS3 (0.50) POLBKDM4ENOS3NOS1NOS2
SCHEMBL12570327 0.80 POLB (0.41) POLBHTR1DTSHRGABRA1GABRB2
SCHEMBL24127226 0.79 GAA (0.41) POLBGABRA1GABRB2KDM4ETP53
SCHEMBL25569089 0.79 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL19504326 0.79 ALOX5AP (0.40) GABRA1GABRB2
SCHEMBL18417644 0.79 ALDH1A1 (0.34) POLBKDM4ELMNAMAPK1ALDH1A1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669932-A4 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE. SMITHKLINE BEECHAM CORP (US) 1995-10-25 EP claimed
EP-0673251-A4 1995-10-25 EP claimed
EP-0651643-A4 17-ALKYLKETONE STEROIDS USEFUL AS 5--g(a)-REDUCTASE INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-10-04 EP claimed
EP-0638090-A4 17-g(a) AND 17-g(b)-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-CARBOXYLIC ACID. SMITHKLINE BEECHAM CORP (US) 1995-10-04 EP claimed
EP-0673251-A1 17 SUBSTITUTED ACYL-3-CARBOXY 3,5-DIENE STEROIDALS AS 5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-09-27 EP claimed
EP-0669932-A1 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-09-06 EP claimed
EP-0651643-A1 17-ALKYLKETONE STEROIDS USEFUL AS 5-$g(a)-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-10 EP claimed
US-5399771-A Process of synthesizing binaphthyl derivatives MERCK & CO., INC. (US) 1995-03-21 US claimed
EP-0638090-A1 17$g(a) AND 17$g(b)-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-CARBOXYLIC ACID SMITHKLINE BEECHAM CORPORATION (US) 1995-02-15 EP claimed
WO-1994011004-A1 17 SUBSTITUTED ACYL-3-CARBOXY 3,5-DIENE STEROIDALS AS 5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-05-26 WO claimed
WO-1994011386-A1 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1994-05-26 WO claimed
WO-1994000125-A1 17-ALKYLKETONE STEROIDS USEFUL AS 5-α-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO claimed
WO-1993022333-A1 17α AND 17β-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-CARBOXYLIC ACID SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 WO claimed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
EP-0638090-A1 17$g(a) AND 17$g(b)-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-CARBOXYLIC ACID SMITHKLINE BEECHAM CORPORATION (US) 1995-02-15 EP disclosed
CN-1095382-A The new A of cyanines family ring steroide SMITHKLINE BEECHAM CORP (US) 1994-11-23 CN disclosed
WO-1994000125-A1 17-ALKYLKETONE STEROIDS USEFUL AS 5-α-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO disclosed
WO-1993022333-A1 17α AND 17β-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-CARBOXYLIC ACID SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 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 (2 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 POLB 2666/4885HTR1D 411/4885TSHR 1241/4885
US-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OCIAD2, OCIAD1 POLB 1363/4885HTR1D 1371/4885TSHR 1214/4885

“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.