SCHEMBL10123338

SCHEMBL10123338

COc1ccc([C@@H]2CCCC[C@@H]2CC=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL6251810 0.83 HTR2C (0.61) HTR2CKDM1AMAOAMAOBALDH1A1
SCHEMBL10123205 0.82 CHRM2 (0.36) HTR2CHDAC8HDAC6HDAC1ALDH1A1
SCHEMBL10108998 0.81 FFAR1 (0.46) HTR2CKDM1AMAOAMAOBHDAC8
SCHEMBL317916 0.81 FFAR1 (0.46) HTR2CKDM1AMAOAMAOBHDAC8
SCHEMBL25332827 0.80 HDAC8 (0.51) HDAC8HDAC6HDAC1EPHX2ALDH1A1
SCHEMBL10123174 0.80 CHRM2 (0.52) HTR2C
SCHEMBL10675972 0.79 MEN1 (0.42) HTR2CKDM1AMAOAMAOBALDH1A1
SCHEMBL10675977 0.79 MEN1 (0.42) HTR2CKDM1AMAOAMAOBALDH1A1
SCHEMBL6406073 0.79 MEN1 (0.42) HTR2CKDM1AMAOAMAOBALDH1A1
SCHEMBL10676736 0.79 MEN1 (0.42) HTR2CKDM1AMAOAMAOBALDH1A1

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 HTR2C 356/4885KDM1A 2085/4885MAOA 2304/4885

“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.