SCHEMBL318320

SCHEMBL318320

COc1cc(OC)cc([C@H]2CCC[C@@H]2O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
ACVRL1 P37023 2/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
SLC18A3 Q16572 1/20 0.36
AR P10275 3/20 0.34
HTR2C P28335 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL318321 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRACVRL1
SCHEMBL318322 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRACVRL1
SCHEMBL318180 0.96 MEN1 (0.41) ALDH1A1MEN1KMT2ATSHRSLC18A3
SCHEMBL10109185 0.96 MEN1 (0.41) ALDH1A1MEN1KMT2ATSHRSLC18A3
SCHEMBL318344 0.83 HTR2C (0.51) HTR2C
SCHEMBL317822 0.83 HTR2C (0.51) HTR2C
SCHEMBL765244 0.83 HTR2C (0.51) HTR2C
SCHEMBL318343 0.83 HTR2C (0.51) HTR2C
SCHEMBL31513817 0.81 KDM1A (0.52) ALDH1A1MEN1KMT2ASLC18A3HTR2C
SCHEMBL31513748 0.81 KDM1A (0.52) ALDH1A1MEN1KMT2ASLC18A3HTR2C

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 8 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-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
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 ALDH1A1 1735/4885MEN1 2698/4885KMT2A 2706/4885

“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.