SCHEMBL1611147

SCHEMBL1611147

CCCCCC/C=[C]\c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
FAAH O00519 2/20 0.35
P2RX7 Q99572 1/20 0.35
DNM1 Q05193 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SOAT2 O75908 1/20 0.34
SOAT1 P35610 1/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1610285 0.98 TSHR (0.39) TSHRFAAHP2RX7DNM1TDP1
SCHEMBL1609667 0.93 TSHR (0.41) TSHRP2RX7CYP3A4CYP2D6
SCHEMBL1609952 0.87 CNR1 (0.35) TSHRFAAHP2RX7KDM4EMAPT
SCHEMBL1612130 0.85 TSHR (0.43) TSHRALDH1A1
SCHEMBL1610884 0.85 TSHR (0.35) TSHRFAAHCNR1CNR2
SCHEMBL1610571 0.81 FAAH (0.36) TSHRFAAHP2RX7SOAT2SOAT1
SCHEMBL1610580 0.80 CNR1 (0.33) TSHRTDP1TP53ALDH1A1MAPT
SCHEMBL1611405 0.80 CNR1 (0.35) TSHRTDP1TP53ALDH1A1MAPT
SCHEMBL1612354 0.79 TSHR (0.36) TSHRCNR1CNR2
SCHEMBL1612559 0.79 CHAT (0.40) TDP1ALDH1A1MEN1KMT2AMAPK1

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 TSHR 2994/4885FAAH 4640/4885P2RX7 2843/4885

“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.