SCHEMBL4814971

SCHEMBL4814971

Cc1cc(-c2ccc(O)cc2)cc(C)c1OCCO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ABL1 P00519 3/20 0.43
ABCB1 P08183 3/20 0.43
BCR P11274 3/20 0.43
GAA P10253 7/20 0.41
MGAM O43451 6/20 0.41
SI P14410 6/20 0.41
MGAM2 Q2M2H8 6/20 0.41
SCN8A Q9UQD0 1/20 0.41
HTR1A P08908 1/20 0.40
ESR2 Q92731 2/20 0.39
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL7112190 0.84 ALDH1A1 (0.48) GAASCN8AHTR1AESR2BRD4
SCHEMBL4815947 0.81 HSD17B1 (0.51) ESR1ESR2KDM4EALDH1A1
SCHEMBL3182619 0.80 RXRA (0.53)
SCHEMBL4813636 0.77 KMT2A (0.50) ESR1GAAESR2KDM4EALDH1A1
SCHEMBL3398525 0.77 HTR1A (0.58) GAAHTR1ABRD4KDM4EALDH1A1
SCHEMBL19956101 0.76 NR1I2 (0.41) GAABRD4KDM4EALDH1A1GLA
SCHEMBL3182651 0.74 MGAM (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL25193508 0.73 HTR1A (0.44) GAAHTR1ABRD4KDM4EALDH1A1
SCHEMBL10358895 0.73 SCN4A (0.49) HTR1ABRD4KDM4EMAPTHPGD
SCHEMBL7044002 0.73 HTR1A (0.44) GAAHTR1ABRD4KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A ESR1 832/4885ABL1 1998/4885ABCB1 1436/4885

“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.