SCHEMBL26326904

SCHEMBL26326904

OC(I)(c1ccccc1)c1ccc(P)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNN4 O15554 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ OPRM1 P35372 1/20 0.32

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
SCHEMBL18287877 0.85 CYP1A2 (0.44) ESR1ESR2ALDH1A1CYP2C9CYP1A2
SCHEMBL18537130 0.77 MEN1 (0.47) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL18535880 0.76 CYP2C9 (0.56) ALDH1A1CYP2C9CYP1A2CYP3A4MAPK1
SCHEMBL15087409 0.71 TSHR (0.48) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL17012773 0.71 ESR1 (0.60) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL14958651 0.69 CYP1A2 (0.44) ESR1ESR2ALDH1A1CYP2C9CYP1A2
SCHEMBL14575088 0.67 CYP1A2 (0.34) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL15960119 0.67 CYP19A1 (0.43) ESR1ESR2ALDH1A1CYP3A4KCNN4
SCHEMBL9050608 0.66 CYP19A1 (0.54) ESR1ESR2ALDH1A1CYP2C9CYP1A2
SCHEMBL7623485 0.66 CYP1A2 (0.46) ESR1ESR2ALDH1A1CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 — — 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-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE HPD, TALDO1, OGG1 ESR1 2473/4885ESR2 3792/4885ALDH1A1 1554/4885

“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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