SCHEMBL10108910

SCHEMBL10108910

COc1cccc([C@@H]2COC[C@@H]2CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
SLC9A1 P19634 1/20 0.45
FFAR1 O14842 4/20 0.45
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.43
FFAR4 Q5NUL3 1/20 0.41
POLB P06746 1/20 0.41
PPARD Q03181 1/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL318824 1.00 HTR2A (0.52) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL318065 0.86 HTR2A (0.49) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL10108907 0.86 HTR2A (0.49) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL6319621 0.84 HTR2A (0.65) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL10108804 0.81 HTR2C (0.50) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL318367 0.76 HTR2C (0.50) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL318088 0.76 FFAR4 (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL318423 0.76 FFAR4 (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL10109035 0.76 FFAR4 (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL10109089 0.76 FFAR4 (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1

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-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
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 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.