SCHEMBL12037121

SCHEMBL12037121

c1ccc2cc(-c3ccc4c(c3)oc3cc(-c5ccc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c5)ccc34)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ HCRTR1 O43613 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ AHR P35869 1/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GSTP1 P09211 1/20 0.39
▸ HPRT1 P00492 3/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39

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
SCHEMBL12037122 0.98 CYP1A1 (0.45) CYP1A1CYP1B1HCRTR1ESR1ESR2
SCHEMBL12037135 0.96 HCRTR1 (0.46) CYP1A1CYP1B1HCRTR1ESR1ESR2
SCHEMBL12037136 0.95 HCRTR1 (0.47) CYP1A1CYP1B1HCRTR1ESR1ESR2
SCHEMBL25118707 0.93 HCRTR1 (0.50) CYP1A1CYP1B1HCRTR1AHRALDH1A1
SCHEMBL12037210 0.93 ESR1 (0.48) CYP1A1CYP1B1HCRTR1ESR1ESR2
SCHEMBL16417795 0.92 ESR1 (0.47) CYP1A1CYP1B1HCRTR1ESR1ESR2
SCHEMBL12037163 0.91 ESR1 (0.50) CYP1A1CYP1B1HCRTR1ESR1ESR2
SCHEMBL12037211 0.91 ESR1 (0.50) CYP1A1CYP1B1HCRTR1ESR1ESR2
SCHEMBL12037128 0.90 PGR (0.47) CYP1A1CYP1B1HCRTR1ESR1ESR2
SCHEMBL12037314 0.90 CYP1A1 (0.44) CYP1A1CYP1B1HCRTR1ESR1ESR2

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-8940412-B2 Material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-01-27 — — US disclosed
US-8940412-B2 Material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-01-27 — — US disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 — — US disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 — — 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-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, TERF2, BPTF CYP1A1 3154/4885CYP1B1 3917/4885HCRTR1 4629/4885

“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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