SCHEMBL10108804

SCHEMBL10108804

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.50
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
FFAR1 O14842 4/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
SLC9A1 P19634 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
LMNA P02545 1/20 0.44
PPARD Q03181 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP30 Q70CQ3 1/20 0.43
SLC6A9 P48067 1/20 0.42

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
SCHEMBL10659498 0.86 KMT2A (0.41) FFAR1FFAR4LMNAPPARDCYP1A2
SCHEMBL10915013 0.86 KMT2A (0.41) FFAR1FFAR4LMNAPPARDCYP1A2
SCHEMBL317931 0.85 HTR2A (0.46) HTR2CHTR2AHTR2BFFAR1CHRM2
SCHEMBL10108800 0.85 HTR2A (0.46) HTR2CHTR2AHTR2BFFAR1CHRM2
SCHEMBL6319621 0.85 HTR2A (0.65) HTR2CHTR2AHTR2BFFAR1CHRM2
SCHEMBL317916 0.83 FFAR1 (0.46) HTR2CFFAR1SMN1; SMN2
SCHEMBL10108998 0.83 FFAR1 (0.46) HTR2CFFAR1SMN1; SMN2
SCHEMBL10108835 0.83 HTR2A (0.46) HTR2CHTR2AHTR2BFFAR1CHRM2
SCHEMBL318181 0.83 HTR2A (0.46) HTR2CHTR2AHTR2BFFAR1CHRM2
SCHEMBL10109035 0.82 FFAR4 (0.46) HTR2CHTR2AHTR2BFFAR1CHRM2

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 HTR2C 356/4885HTR2A 404/4885HTR2B 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.