SCHEMBL10123199

SCHEMBL10123199

COC1=CCC([C@@H]2Cc3cc(C=O)c(OC)cc3[C@@H]3CCCC[C@@H]32)C=C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLA1 P09884 2/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL10123024 0.88 CHRNA7 (0.33)
SCHEMBL10123195 0.85 HSD11B1 (0.33)
SCHEMBL10123131 0.85 CYP19A1 (0.34) ALDH1A1KDM4E
SCHEMBL10123181 0.84
SCHEMBL10123213 0.83 MEN1 (0.31)
SCHEMBL10123362 0.82 ALDH1A1 (0.32) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL10123354 0.81
SCHEMBL10123030 0.81 HTR2A (0.34)
SCHEMBL10123178 0.78 NOS3 (0.36)
SCHEMBL10123012 0.78 OPRM1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG ESR1 6/4885ALDH1A1 1735/4885GAA 2018/4885

“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.