SCHEMBL10109035

SCHEMBL10109035

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
FFAR1 O14842 4/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PPARD Q03181 1/20 0.43
SLC9A1 P19634 2/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
LMNA P02545 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL318088 1.00 FFAR4 (0.46) FFAR4HTR2AHTR2CHTR2BFFAR1
SCHEMBL10109089 0.91 FFAR4 (0.46) FFAR4HTR2AHTR2CHTR2BFFAR1
SCHEMBL318423 0.91 FFAR4 (0.46) FFAR4HTR2AHTR2CHTR2BFFAR1
SCHEMBL10109029 0.90 HTR2A (0.44) FFAR4HTR2AHTR2CHTR2BFFAR1
SCHEMBL318377 0.90 HTR2A (0.44) FFAR4HTR2AHTR2CHTR2BFFAR1
SCHEMBL10108804 0.82 HTR2C (0.50) FFAR4HTR2AHTR2CHTR2BFFAR1
SCHEMBL319462 0.81 HTR2A (0.44) FFAR4HTR2AHTR2CHTR2BFFAR1
SCHEMBL10109083 0.81 HTR2A (0.44) FFAR4HTR2AHTR2CHTR2BFFAR1
SCHEMBL6319621 0.80 HTR2A (0.65) FFAR4HTR2AHTR2CHTR2BFFAR1
SCHEMBL318824 0.76 HTR2A (0.52) FFAR4HTR2AHTR2CHTR2BFFAR1

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 FFAR4 57/4885HTR2A 404/4885HTR2C 356/4885

“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.