SCHEMBL4138621

SCHEMBL4138621

Cc1cccc(-c2ccc(Cl)s2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 12/20 0.59
HSD17B2 P37059 11/20 0.59
CYP2A6 P11509 1/20 0.50
CNR1 P21554 1/20 0.49
PGR P06401 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ACHE P22303 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
SCHEMBL19741486 0.86 HSD17B1 (0.56) HSD17B1HSD17B2CNR1MEN1ALDH1A1
SCHEMBL10455681 0.82 HSD17B1 (0.59) HSD17B1HSD17B2CNR1MEN1ALDH1A1
SCHEMBL147294 0.80 HSD17B1 (0.49) HSD17B1HSD17B2CNR1PGRMEN1
SCHEMBL13999265 0.79 HSD17B1 (0.52) HSD17B1HSD17B2CYP2A6PGR
SCHEMBL27688177 0.79 CYP2A6 (0.61) HSD17B1HSD17B2CYP2A6MEN1ALDH1A1
SCHEMBL9429775 0.77 ALDH1A1 (0.50) HSD17B1HSD17B2CYP2A6CNR1MEN1
SCHEMBL12529379 0.77 HSD17B1 (0.47) HSD17B1HSD17B2CNR1MEN1ALDH1A1
SCHEMBL5673936 0.77 HSD17B1 (0.93) HSD17B1HSD17B2
SCHEMBL29668098 0.77 ALDH1A1 (0.50) HSD17B1HSD17B2CYP2A6CNR1MEN1
SCHEMBL28530288 0.77 SNCA (0.50) HSD17B1HSD17B2CNR1PGRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 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-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH HSD17B1 587/4885HSD17B2 493/4885CYP2A6 45/4885

“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.