SCHEMBL10109235

SCHEMBL10109235

COC(=O)c1cc(OC)cc2c1C[C@@H](c1ccc(OC)cc1)[C@H]1CCCC[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL318636 1.00 KDM4E (0.40) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL319574 0.98 KDM4E (0.40) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10109175 0.98 KDM4E (0.40) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10109246 0.90 SMN1; SMN2 (0.39) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL319593 0.90 SMN1; SMN2 (0.39) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL10109252 0.89 KDM1A (0.36) MEN1KMT2AHPGDMTNR1AMTNR1B
SCHEMBL10109283 0.89 PARP10 (0.38) MEN1KMT2AHPGDCA1CA2
SCHEMBL318446 0.89 KDM1A (0.36) MEN1KMT2AHPGDMTNR1AMTNR1B
SCHEMBL318328 0.89 PARP10 (0.38) MEN1KMT2AHPGDCA1CA2
SCHEMBL318689 0.83 ESR2 (0.42) KDM4EHPGDALDH1A1SMN1; SMN2CA1

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 KDM4E 2531/4885CYP1A2 890/4885CYP2D6 3197/4885

“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.