SCHEMBL719932

SCHEMBL719932

CCCCCCC#Cc1c2ccccc2c2ccc3c(C#CCCCCCC)c4ccccc4c4ccc1c2c34

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 3/20 0.40
TSHR P16473 1/20 0.40
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL718529 1.00 KCNH2 (0.46) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL2830195 0.83 KCNH2 (0.44) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL17509621 0.78 KCNH2 (0.49) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL26182381 0.77 KCNH2 (0.47) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL2368429 0.77 KCNH2 (0.47) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL10034261 0.75 LTA4H (0.47) TSHRKDM4EALDH1A1HPGD
SCHEMBL10034262 0.75 LTA4H (0.47) TSHRKDM4EALDH1A1HPGD
SCHEMBL716818 0.74 HSD17B10 (0.42) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL28040894 0.73 KCNH2 (0.47) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL25667113 0.73 KCNH2 (0.44) KCNH2CYP3A4FFAR1FFAR4MMP2

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-20120048377-A1 PHOTOSENSITIVE OPTOELECTRONIC DEVICES COMPRISING POLYCYCLIC AROMATIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-03-01 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-20120048377-A1 PHOTOSENSITIVE OPTOELECTRONIC DEVICES COMPRISING POLYCYCLIC AROMATIC COMPOUNDS TYR, PAH, DDT KCNH2 219/4885CYP3A4 321/4885TSHR 4447/4885

“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.