SCHEMBL12562811

SCHEMBL12562811

Fc1cc(F)cc(-c2ccc(-c3cc4sc(-c5ccc(-c6cc(F)cc(F)c6)cc5)cc4s3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.43
▸ HSD17B2 P37059 4/20 0.43
▸ ESR2 Q92731 5/20 0.37
▸ ESR1 P03372 4/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ APP P05067 2/20 0.36
▸ IKBKB O14920 2/20 0.36
▸ CHUK O15111 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CYP17A1 P05093 2/20 0.34
▸ CYP21A2 P08686 2/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ PGR P06401 1/20 0.33

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
SCHEMBL12562832 1.00 HSD17B1 (0.43) HSD17B1HSD17B2ESR2ESR1TAAR1
SCHEMBL12562800 0.86 IKBKB (0.46) HSD17B1HSD17B2ESR2ESR1APP
SCHEMBL1989481 0.86 IKBKB (0.46) HSD17B1HSD17B2ESR2ESR1APP
SCHEMBL12562808 0.86 ESR2 (0.46) HSD17B1HSD17B2ESR2ESR1TAAR1
SCHEMBL26040051 0.86 ESR2 (0.46) HSD17B1HSD17B2ESR2ESR1TAAR1
SCHEMBL12562824 0.82 HSD17B1 (0.60) HSD17B1HSD17B2ESR2ESR1TAAR1
SCHEMBL12562827 0.80 HSD17B1 (0.58) HSD17B1HSD17B2ESR2ESR1TAAR1
SCHEMBL12562813 0.80 HSD17B1 (0.58) HSD17B1HSD17B2ESR2ESR1TAAR1
SCHEMBL12562819 0.80 HSD17B1 (0.58) HSD17B1HSD17B2ESR2ESR1TAAR1
SCHEMBL12562815 0.80 HSD17B1 (0.58) HSD17B1HSD17B2ESR2ESR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518075-A1 INDUCED LAYER MATERIAL FOR PREPARING NON-PLANAR METAL PHTHALOCYANINE WEAK EPITAXY GROWTH THIN FILM Shanghai Casail Display Technology Ltd. (CN) 2012-10-31 — — EP disclosed
US-20110152541-A1 INDUCING LAYER MATERIALS FOR WEAK EPITAXIAL FILMS OF NON-PLANAR METAL PHTHALOCYANINE SHANGHAI CASAIL DISPLAY TECHNOLOGY LTD. (CN) 2011-06-23 — — US disclosed
US-20110152541-A1 INDUCING LAYER MATERIALS FOR WEAK EPITAXIAL FILMS OF NON-PLANAR METAL PHTHALOCYANINE SHANGHAI CASAIL DISPLAY TECHNOLOGY LTD. (CN) 2011-06-23 — — 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-20110152541-A1 INDUCING LAYER MATERIALS FOR WEAK EPITAXIAL FILMS OF NON-PLANAR METAL PHTHALOCYANINE CDYL, PAX3, PAXBP1 HSD17B1 2793/4885HSD17B2 2870/4885ESR2 574/4885

“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.

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