SCHEMBL17037124

SCHEMBL17037124

Cc1cc2cc3sc4c5cc6ccc7ccccc7c6cc5sc4c3cc2cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP1B1 Q16678 2/20 0.50
HIF1A Q16665 1/20 0.50
CYP1A2 P05177 5/20 0.47
HPGD P15428 2/20 0.47
CYP2A6 P11509 4/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 6/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
AHR P35869 1/20 0.37
HPRT1 P00492 1/20 0.35
CYP1A1 P04798 1/20 0.35
CASP3 P42574 1/20 0.34
GFER P55789 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
SCHEMBL27257423 0.87 MAPT (0.38) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL246554 0.81 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL29834253 0.81 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL9976852 0.81 GAA (0.35) ALDH1A1TSHRMAPTKDM4ESMN1; SMN2
SCHEMBL25040103 0.79 CYP1B1 (0.47) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL25041930 0.79 CYP1B1 (0.47) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL16978725 0.79 MAPT (0.45) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL25042465 0.78 CYP1B1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL25040081 0.78 CYP1B1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL25042482 0.78 CYP1B1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 US disclosed
US-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 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-20150239901-A1 Method For Producing Aromatic Compound TYR, XDH, CYP1A1 ALDH1A1 806/4885HSD17B10 1048/4885CYP1B1 17/4885

“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.