SCHEMBL13799262

SCHEMBL13799262

Cc1ccc(C#N)c(C(C)C)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KDM5A P29375 2/20 0.35
AR P10275 6/20 0.34
ALDH1A1 P00352 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
S1PR3 Q99500 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
S1PR1 P21453 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LRRK2 Q5S007 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL21937408 0.85 AR (0.40) TSHRKDM5AARALDH1A1MAOA
SCHEMBL13748359 0.82 TSHR (0.38) TSHRKDM5AARALDH1A1MAOA
SCHEMBL12251164 0.81 TSHR (0.56) TSHRKDM5AARALDH1A1KDM4E
SCHEMBL18999988 0.78 AR (0.35) TSHRKDM5AARALDH1A1MAOA
SCHEMBL3679326 0.76 TSHR (0.46) TSHRKDM5AARALDH1A1KDM4E
SCHEMBL22012403 0.75 AR (0.36) TSHRKDM5AARMAOAMAOB
SCHEMBL807524 0.75 TSHR (0.46) TSHRKDM5AALDH1A1IMPDH2IMPDH1
SCHEMBL17988478 0.74 TRPV4 (0.36) TSHRKDM5AARMAOAMAOB
SCHEMBL24784998 0.71 IMPDH2 (0.39) TSHRKDM5AIMPDH2IMPDH1LRRK2
SCHEMBL13748000 0.71 TRPV4 (0.38) ARMAOAMAOBIMPDH2IMPDH1

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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same GRACEL DISPLAY INC. (KR) 2009-06-11 US disclosed
US-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same GRACEL DISPLAY INC. (KR) 2009-06-11 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 (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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TSHR 791/4885KDM5A 1605/4885AR 1354/4885
US-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same LEF1, ODC1, AOC2 TSHR 4686/4885KDM5A 1565/4885AR 3775/4885

“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.