SCHEMBL18372140

SCHEMBL18372140

O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1c2ccccc2c(-c2ccccc2)c2c3ccccc3c3ccccc3c12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NQO2 P16083 1/20 0.31
▸ GPR84 Q9NQS5 2/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ ALOX5 P09917 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL18372109 0.96 ESR1 (0.33) ESR1ESR2CYP1A2ALDH1A1THRB
SCHEMBL18372079 0.91 NQO2 (0.36) ESR1ESR2CYP1A2ALDH1A1THRB
SCHEMBL18372118 0.84 NPSR1 (0.36) —
SCHEMBL18372103 0.84 NPSR1 (0.41) ESR1ESR2CYP1A2ALDH1A1HPGD
SCHEMBL20746673 0.83 NPSR1 (0.38) —
SCHEMBL18372111 0.81 TOP1 (0.36) CYP1A2ALDH1A1HPGD
SCHEMBL18372139 0.80 CYP1A2 (0.34) CYP1A2ALDH1A1HPGD
SCHEMBL18372135 0.80 HPGD (0.36) ALDH1A1HPGDHSD17B10AHRABCG2
SCHEMBL18372066 0.79 ALDH1A1 (0.37) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL18372073 0.78 KDM4E (0.37) CYP1A2ALDH1A1THRBHPGDHSD17B10

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
US-10211404-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-02-19 — — US disclosed
US-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-12 — — US disclosed
US-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-12 — — 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 (2 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-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE PIEZO1, TERT, TPR ESR1 116/4885ESR2 355/4885CYP1A2 2511/4885
US-10211404-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element and electronic device PIEZO1, TERT, TPR ESR1 116/4885ESR2 355/4885CYP1A2 2511/4885

“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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