SCHEMBL4827488

SCHEMBL4827488

COc1ccc2c(O)c(-c3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
MAPT P10636 1/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL19321469 0.92 CYP1A2 (0.74) CYP1A2MAPTPOLBCYP3A4CYP2C9
SCHEMBL9781436 0.83 FASN (0.50) CYP1A2POLBCYP3A4CYP2C9TSHR
SCHEMBL9225121 0.82 ALDH1A1 (0.60) CYP1A2CYP2C9KDM4EALDH1A1HPGD
SCHEMBL8784597 0.82 CYP1A2 (0.74) CYP1A2POLBCYP3A4CYP2C9TSHR
SCHEMBL7825662 0.82 PADI4 (0.57) MAPTPOLBTSHRKDM4EALDH1A1
SCHEMBL8783422 0.81 KDM4E (0.77) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL12686482 0.81 FASN (0.57) CYP1A2POLBCYP3A4CYP2C9TSHR
SCHEMBL10614041 0.81 CYP1A2 (0.54) CYP1A2MAPTPOLBCYP3A4CYP2C9
SCHEMBL7255932 0.80 KDM4E (0.47) CYP1A2MAPTPOLBCYP3A4CYP2C9
SCHEMBL19326061 0.80 CYP1A2 (0.74) CYP1A2MAPTPOLBCYP3A4CYP2C9

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-7405303-B2 Substituted quinoline compounds for use as selective estrogen receptor modulator SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
US-20070203180-A1 e.g. 4-[(7-Hydroxy-2-ethyl-3-phenyl-4-quinolinyl)oxyphenyl]-2-propenoic acid; bone diseases, aging, osteoporosis, osteoarthritis, atherosclerosis, menopausal disorders,liver and cardiovascular disorder, breast cancer SMITHKLINE BEECHAM CORPORATION 2007-08-30 US disclosed
EP-1727802-A1 SUBSTITUTED QUINOLINE COMPOUNDS FOR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATOR SMITHKLINE BEECHAM CORPORATION (US) 2006-12-06 EP disclosed
WO-2005082857-A1 SUBSTITUTED QUINOLINE COMPOUNDS FOR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATOR SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20070203180-A1 e.g. 4-[(7-Hydroxy-2-ethyl-3-phenyl-4-quinolinyl)oxyphenyl]-2-propenoic acid; bone diseases, aging, osteoporosis, osteoarthritis, atherosclerosis, menopausal disorders,liver and cardiovascular disorder, breast cancer GPER1, ESRRG, ESR2 CYP1A2 193/4885MAPT 4752/4885POLB 2541/4885

“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.