SCHEMBL10123010

SCHEMBL10123010

COc1ccccc1[C@@H]1CCCC[C@@H]1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
FABP7 O15540 1/20 0.43
FABP3 P05413 1/20 0.43
FABP5 Q01469 1/20 0.43
HSD11B1 P28845 1/20 0.42
DRD2 P14416 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
SCHEMBL17356792 1.00 HTR2C (0.49) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL17356800 0.96 HTR2C (0.49) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL12345359 0.89 HTR2C (0.51) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL17356788 0.84 HTR2C (0.50) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL12875534 0.81 HTR2C (0.59) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL1643779 0.81 HTR2C (0.51) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL9278538 0.81 HTR2C (0.47) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL1643778 0.81 HTR2C (0.51) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL17685334 0.81 KDM1A (0.37) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL9278530 0.81 HTR2C (0.47) HTR2CHTR2AHTR2BMEN1KMT2A

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 356/4885HTR2A 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.