SCHEMBL10123205

SCHEMBL10123205

COc1cc(OC)cc([C@@H]2CCC[C@@H]2CC=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
EGFR P00533 3/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP1A1 P04798 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
SCHEMBL10123174 0.86 CHRM2 (0.52) CHRM2CHRM1CHRM3HTR2AHTR2C
SCHEMBL10123338 0.82 HTR2C (0.45) ALDH1A1HDAC8HDAC6HDAC1HTR2C
SCHEMBL10915013 0.78 KMT2A (0.41) ALDH1A1TSHRHDAC8HDAC6HDAC1
SCHEMBL10659498 0.78 KMT2A (0.41) ALDH1A1TSHRHDAC8HDAC6HDAC1
SCHEMBL318067 0.76 MTNR1A (0.45) ALDH1A1HTR2AHTR2CKMT2AMEN1
SCHEMBL10109119 0.76 MTNR1A (0.45) ALDH1A1HTR2AHTR2CKMT2AMEN1
SCHEMBL317936 0.76 SMN1; SMN2 (0.43) ALDH1A1HDAC8HDAC6HDAC1KMT2A
SCHEMBL10108869 0.76 SMN1; SMN2 (0.43) ALDH1A1HDAC8HDAC6HDAC1KMT2A
SCHEMBL10109196 0.73 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1PDE4APDE4B
SCHEMBL318322 0.70 ALDH1A1 (0.41) ALDH1A1TSHRHTR2CKMT2AMEN1

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 CHRM2 1143/4885CHRM1 1351/4885CHRM3 1247/4885

“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.