SCHEMBL10109186

SCHEMBL10109186

COc1cc(OC)cc([C@@H]2CCCCC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
TLR4 O00206 1/20 0.42
EGFR P00533 3/20 0.41
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
GID4 Q8IVV7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CA6 P23280 2/20 0.36

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
SCHEMBL318339 1.00 MAPK1 (0.45) MAPK1TLR4EGFRCYP19A1KMT2A
SCHEMBL318046 0.95 GID4 (0.43) MAPK1TLR4EGFRCYP19A1KMT2A
SCHEMBL182434 0.84 DDB1 (0.58) MAPK1CYP19A1KMT2AMEN1DDB1
SCHEMBL4128714 0.83 DDB1 (0.57) MAPK1CYP19A1KMT2AMEN1DDB1
SCHEMBL318066 0.83 MAPK1 (0.56) MAPK1TLR4CYP19A1KMT2AMEN1
SCHEMBL15874734 0.83 MAPK1 (0.56) MAPK1TLR4CYP19A1KMT2AMEN1
SCHEMBL11873333 0.81 MAPK1 (0.55) MAPK1TLR4CYP19A1KMT2AMEN1
SCHEMBL28414869 0.80 PTAFR (0.51) KMT2AALDH1A1TSHRCA1CA2
SCHEMBL317559 0.79 GID4 (0.63) CYP19A1KMT2AMEN1DDB1CRBN
SCHEMBL11637205 0.77 DDB1 (0.55) MAPK1CYP19A1KMT2AMEN1DDB1

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 MAPK1 3434/4885TLR4 558/4885EGFR 51/4885

“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.