SCHEMBL13247293

SCHEMBL13247293

Cc1ccc(C#Cc2ccc3cc(C=O)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.50
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GRM5 P41594 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PTK2B Q14289 1/20 0.37

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
SCHEMBL4453443 0.83 CYP2A6 (0.73) CYP2A6CA12CA1CA2CA9
SCHEMBL1447842 0.79 CYP2A6 (0.59) CYP2A6MAOAMAOBALDH1A1TSHR
SCHEMBL29955678 0.79 CYP2A6 (0.59) CYP2A6MAOAMAOBALDH1A1TSHR
SCHEMBL9266152 0.79 RAB9A (0.53) CYP2A6FFAR1ALDH1A1GRM5KDM4E
Hydrochloric Acid SCHEMBL28902983 0.77 CYP2A6 (0.56) CYP2A6MAOAMAOBALDH1A1TSHR
SCHEMBL3107240 0.77 CYP2A6 (0.56) CYP2A6MAOAMAOBALDH1A1TSHR
SCHEMBL3120017 0.77 CYP2A6 (0.56) CYP2A6MAOAMAOBALDH1A1TSHR
SCHEMBL3108419 0.77 CYP2A6 (0.56) CYP2A6MAOAMAOBALDH1A1TSHR
SCHEMBL13267902 0.77 CYP2A6 (0.56) CYP2A6CA12CA1CA2CA9
SCHEMBL15014341 0.76 CYP2A6 (0.58) CYP2A6CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100187514-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT- EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 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-20100187514-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT- EMITTING TRANSISTOR SOAT2, TECR, FAR1 CYP2A6 477/4885CA12 3407/4885CA1 3933/4885

“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.