SCHEMBL16355709

SCHEMBL16355709

Oc1ccc(CCc2ccccc2)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
HSD17B3 P37058 1/20 0.48
TYR P14679 2/20 0.46
HSD17B10 Q99714 1/20 0.43
OPRK1 P41145 1/20 0.43
HPGD P15428 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL16355887 0.89 IGF1R (0.47) ALOX5PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3242232 0.89 ESR1 (0.56) TYRHSD17B10ESR1ESR2
SCHEMBL16355886 0.88 IGF1R (0.46) ALOX5PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4208352 0.86 TYR (0.58) TYRHSD17B10HPGDESR1ESR2
SCHEMBL2471139 0.85 HSD17B3 (0.48) ALOX5HSD17B3TYRHSD17B10OPRK1
SCHEMBL11718847 0.83 ALOX5 (0.67) ALOX5HSD17B3HSD17B10HPGD
SCHEMBL29492432 0.81 TYR (0.72) ALOX5HSD17B3TYR
SCHEMBL70564 0.81 TYR (0.72) ALOX5HSD17B3TYR
SCHEMBL16355701 0.80 ALOX5 (0.50) ALOX5HSD17B3TYROPRK1ESR2
Water SCHEMBL28104515 0.79 TYR (0.69) ALOX5HSD17B3TYR

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-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 ALOX5 1562/4885HSD17B3 2747/4885TYR 1265/4885

“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.