SCHEMBL18157767

SCHEMBL18157767

C(#Cc1[nH]c2ccccc2c1C#Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GPR3 P46089 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ATM Q13315 2/20 0.36
AHR P35869 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PIK3CA P42336 3/20 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
SCHEMBL1029936 0.80 MAPT (0.44) APPCYP19A1ALDH1A1GPR3HSD17B10
SCHEMBL4892717 0.80 CYP19A1 (0.64) APPCYP19A1ALDH1A1GPR3HSD17B10
Diphenylacetylene SCHEMBL6544119 0.80 ALDH1A1 (0.67) APPCYP19A1ALDH1A1GPR3HSD17B10
SCHEMBL5635075 0.76 AHR (0.41) APPALDH1A1GPR3HSD17B10ATM
SCHEMBL18157757 0.74 NPC1 (0.43) APPALDH1A1GPR3HSD17B10ATM
SCHEMBL18157760 0.74 NPC1 (0.40) APPCYP19A1ALDH1A1GPR3HSD17B10
SCHEMBL29357652 0.73 APP (0.67) APPALDH1A1HSD17B10ATMKDM4E
SCHEMBL55761 0.73 APP (0.67) APPALDH1A1HSD17B10ATMKDM4E
SCHEMBL29316737 0.71 ALDH1A1 (0.39) CYP19A1ALDH1A1GPR3HSD17B10ATM
SCHEMBL3796509 0.70 APP (0.80) APPALDH1A1HSD17B10KDM4EMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239834-B2 Antibiotic sensitivity-restoring and photosensitive agents NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION (US) 2019-03-26 US disclosed
US-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2018-06-07 US disclosed
US-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2018-06-07 US disclosed
US-9834514-B2 Antibiotic sensitivity-restoring and photosensitive agents NEW MEXICO TECH RESEARCH FOUNDATION (US) 2017-12-05 US disclosed
US-9834514-B2 Antibiotic sensitivity-restoring and photosensitive agents NEW MEXICO TECH RESEARCH FOUNDATION (US) 2017-12-05 US disclosed
WO-2016172193-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH RESEARCH FOUNDATION (US) 2016-10-27 WO disclosed
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2016-10-20 US disclosed
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2016-10-20 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 (3 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-10239834-B2 Antibiotic sensitivity-restoring and photosensitive agents XPA, PPOX, ALAD APP 4780/4885CYP19A1 2333/4885ALDH1A1 1522/4885
US-20180155286-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD APP 4780/4885CYP19A1 2333/4885ALDH1A1 1522/4885
US-20160304453-A1 ANTIBIOTIC SENSITIVITY-RESTORING AND PHOTOSENSITIVE AGENTS XPA, PPOX, ALAD APP 4780/4885CYP19A1 2333/4885ALDH1A1 1522/4885

“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.