SCHEMBL1609667

SCHEMBL1609667

CCCC/C=[C]\c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ACHE P22303 1/20 0.32
P2RX7 Q99572 1/20 0.30
LMNA P02545 1/20 0.30
GRM5 P41594 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1610285 0.95 TSHR (0.39) TSHRACHEP2RX7LMNACYP3A4
SCHEMBL1611147 0.93 TSHR (0.38) TSHRP2RX7CYP3A4CYP2D6
SCHEMBL1612130 0.89 TSHR (0.43) TSHRACHEGRM5
SCHEMBL1612354 0.86 TSHR (0.36) TSHR
SCHEMBL1610884 0.81 TSHR (0.35) TSHR
SCHEMBL1611529 0.80 TSHR (0.46) TSHRACHEGRM5CYP3A4
SCHEMBL1609952 0.80 CNR1 (0.35) TSHRP2RX7CYP2D6
SCHEMBL1610827 0.79 TLR8 (0.30) CYP1A2CYP2C19
SCHEMBL1610600 0.79 PDE5A (0.35) LMNA
SCHEMBL1611559 0.79 PDE5A (0.35) LMNAGRM5

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 2994/4885ACHE 3944/4885P2RX7 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.