SCHEMBL318181

SCHEMBL318181

CCOC(=O)CC1CCCC1c1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SLC9A1 P19634 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CACNA1D Q01668 1/20 0.41
MTNR1B P49286 1/20 0.41
FFAR1 O14842 2/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10108835 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL10108800 0.98 HTR2A (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL317931 0.98 HTR2A (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL10108869 0.88 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL317936 0.88 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL10109196 0.85 SMN1; SMN2 (0.43) LMNAPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL17731122 0.83 MAPT (0.46) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL318065 0.83 HTR2A (0.49) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL10108907 0.83 HTR2A (0.49) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL316990 0.83 ALDH1A1 (0.44) HTR2CTSHRLMNAPOLBKDM4E

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 4 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
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 WO 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 HTR2A 404/4885HTR2C 356/4885HTR2B 372/4885

“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.