SCHEMBL4135919

SCHEMBL4135919

CC(NCCO)c1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
GABRA1 P14867 2/20 0.50
TSHR P16473 2/20 0.50
GABRB2 P47870 1/20 0.50
PDCD1LG2 Q9BQ51 3/20 0.40
CD274 Q9NZQ7 3/20 0.40
MAPKAPK2 P49137 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
CYP3A4 P08684 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC6A4 P31645 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
SMPD1 P17405 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL22103746 0.90 POLB (0.55) POLBGABRA1TSHRGABRB2PDCD1LG2
SCHEMBL335140 0.84 POLB (0.60) POLBGABRA1TSHRGABRB2MAPKAPK2
SCHEMBL7818130 0.81 ADRB2 (0.47) POLBGABRA1TSHRPDCD1LG2CD274
SCHEMBL27381281 0.81 POLB (0.66) POLBGABRA1TSHRGABRB2MAPKAPK2
SCHEMBL15130966 0.80 OPRM1 (0.67) POLBGABRA1TSHRGABRB2CYP3A4
SCHEMBL2985300 0.79 POLB (0.39) POLBGABRA1TSHRGABRB2PDCD1LG2
SCHEMBL2986678 0.79 TYR (0.45) POLBPDCD1LG2CD274
SCHEMBL18706684 0.79 TSHR (0.52) POLBGABRA1TSHRGABRB2MAPKAPK2
SCHEMBL2978324 0.79 POLB (0.39) POLBTSHRPDCD1LG2CD274CYP3A4
SCHEMBL11419847 0.78 TSHR (0.41) POLBGABRA1TSHRGABRB2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US claimed
EP-3183967-A1 PROCESS FOR THE PREPARATION OF A QUELATING AGENT Trade Corporation International, S.A. Unipersonal (ES) 2017-06-28 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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 POLB 247/4885GABRA1 4083/4885TSHR 2624/4885

“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.