SCHEMBL716818

SCHEMBL716818

CCCCCc1ccc(C#Cc2c3ccccc3c3ccc4c(C#Cc5ccc(CCCCC)cc5)c5ccccc5c5ccc2c3c45)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
FFAR1 O14842 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2A P28223 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL11023790 0.90 HSD17B10 (0.51) HSD17B10TSHRFFAR1ESR1ADRA2A
SCHEMBL11023863 0.90 HSD17B10 (0.51) HSD17B10TSHRFFAR1ESR1ADRA2A
SCHEMBL2137634 0.90 HSD17B10 (0.51) HSD17B10TSHRFFAR1ESR1ADRA2A
SCHEMBL11028593 0.87 FFAR1 (0.46) HSD17B10TSHRFFAR1SIGMAR1ESR1
SCHEMBL10034262 0.81 LTA4H (0.47) TSHRKDM4EALDH1A1TP53
SCHEMBL10034261 0.81 LTA4H (0.47) TSHRKDM4EALDH1A1TP53
SCHEMBL4585249 0.80 HSD17B10 (0.44) HSD17B10TSHRFFAR1ESR1ADRA2A
SCHEMBL30762968 0.78 HSD17B10 (0.59) HSD17B10TSHRFFAR1ESR1ADRA2A
SCHEMBL30785014 0.78 FFAR1 (0.59) HSD17B10TSHRFFAR1ESR1ADRA2A
SCHEMBL6046904 0.78 FFAR1 (0.59) HSD17B10TSHRFFAR1ESR1ADRA2A

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 HSD17B10 3033/4885TSHR 4447/4885FFAR1 4243/4885

“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.