SCHEMBL2810677

SCHEMBL2810677

CCCCCCCCCCCCC#Cc1cccc2c1C(=O)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 6/20 0.42
TSHR P16473 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
GPR84 Q9NQS5 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL31415633 1.00 KCNH2 (0.46) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL5085494 0.99 KCNH2 (0.43) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL2815242 0.94 CYP3A4 (0.40) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL31415580 0.85 CYSLTR2 (0.33) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL2808745 0.82 ALOX15 (0.38) TSHRALDH1A1TDP1ALOX15
SCHEMBL18069182 0.80 KCNH2 (0.43) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL12814518 0.77 TDP1 (0.48) TSHRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL6371432 0.75 KCNH2 (0.58) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL2726528 0.75 HSD17B10 (0.50) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL18069179 0.74 TYMS (0.44) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B KCNH2 382/4885CYP3A4 1909/4885TSHR 3644/4885

“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.