SCHEMBL11980604

SCHEMBL11980604

CCCCc1ccc(OCC(O)CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.58
KMT2A Q03164 2/20 0.51
MAPK1 P28482 3/20 0.49
AR P10275 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
ADRB2 P07550 3/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
S1PR4 O95977 2/20 0.47
S1PR5 Q9H228 2/20 0.47

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
SCHEMBL12442095 0.95 S1PR1 (0.64) S1PR1KMT2AMAPK1ARMEN1
SCHEMBL11367486 0.94 S1PR1 (0.66) S1PR1KMT2AMAPK1ARMEN1
SCHEMBL10803483 0.94 S1PR1 (0.66) S1PR1KMT2AMAPK1ARMEN1
SCHEMBL11355760 0.94 S1PR1 (0.66) S1PR1KMT2AMAPK1ARMEN1
SCHEMBL1150684 0.94 S1PR1 (0.66) S1PR1KMT2AMAPK1ARMEN1
SCHEMBL11362458 0.94 S1PR1 (0.66) S1PR1KMT2AMAPK1ARMEN1
SCHEMBL6226494 0.94 S1PR1 (0.66) S1PR1KMT2AMAPK1ARMEN1
SCHEMBL11359034 0.94 S1PR1 (0.66) S1PR1KMT2AMAPK1ARMEN1
SCHEMBL13640085 0.90 KMT2A (0.61) S1PR1KMT2AMAPK1ARMEN1
SCHEMBL8470559 0.90 KMT2A (0.61) S1PR1KMT2AMAPK1ARMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915796-A1 PROPYL-PHENYL-ETHER DERIVATIVE AND MELANOGENESIS INHIBITOR, SKIN-LIGHTENING AGENT, ANTIMICROBIAL AGENT, AND COSMETIC CONTAINING SAID PROPYL-PHENYL-ETHER DERIVATIVE Seiwa Kasei Company, Limited (JP) 2015-09-09 EP disclosed
US-20150238401-A1 PROPYL-PHENYL-ETHER DERIVATIVE, AND MELANOGENESIS INHIBITOR, SKIN-LIGHTENING AGENT, ANTIMICROBIAL AGENT AND COSMETIC CONTAINING SAID PROPYL-PHENYL-ETHER DERIVATIVE SEIWA KASEI COMPANY, LIMITED (JP) 2015-08-27 US disclosed
US-20150238401-A1 PROPYL-PHENYL-ETHER DERIVATIVE, AND MELANOGENESIS INHIBITOR, SKIN-LIGHTENING AGENT, ANTIMICROBIAL AGENT AND COSMETIC CONTAINING SAID PROPYL-PHENYL-ETHER DERIVATIVE SEIWA KASEI COMPANY, LIMITED (JP) 2015-08-27 US disclosed
WO-2014069555-A1 PROPYL-PHENYL-ETHER DERIVATIVE AND MELANOGENESIS INHIBITOR, SKIN-LIGHTENING AGENT, ANTIMICROBIAL AGENT, AND COSMETIC CONTAINING SAID PROPYL-PHENYL-ETHER DERIVATIVE 株式会社成和化成 (JP) 2014-05-08 WO disclosed
US-8236808-B2 Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2012-08-07 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-20150238401-A1 PROPYL-PHENYL-ETHER DERIVATIVE, AND MELANOGENESIS INHIBITOR, SKIN-LIGHTENING AGENT, ANTIMICROBIAL AGENT AND COSMETIC CONTAINING SAID PROPYL-PHENYL-ETHER DERIVATIVE TYR, MITF, MC1R S1PR1 4279/4885KMT2A 778/4885MAPK1 1009/4885

“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.