SCHEMBL2989944

SCHEMBL2989944

CC(NCC(=O)O)c1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
TSHR P16473 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
HPGD P15428 5/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
AKR1B1 P15121 1/20 0.40
APAF1 O14727 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALOX15 P16050 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
SCHEMBL12468478 0.85 POLB (0.57) POLBTSHRGABRA1GABRB2HPGD
SCHEMBL1579875 0.81 POLB (0.41) POLBHPGDLMNAALDH1A1GAA
SCHEMBL13058868 0.81 POLB (0.44) POLBTSHRGABRA1GABRB2HPGD
SCHEMBL2982548 0.81 POLB (0.40) POLBHPGDLMNAKDM4EALDH1A1
SCHEMBL15637303 0.80 SMN1; SMN2 (0.58) POLBHPGDLMNAALDH1A1KMT2A
SCHEMBL2985213 0.80 POLB (0.41) POLBHPGDLMNAKMT2AMAPT
SCHEMBL2989734 0.80 TYR (0.46) POLBTSHRALDH1A1
SCHEMBL2987388 0.80 TYR (0.46) POLBTSHRALDH1A1
SCHEMBL2988916 0.80 TYR (0.46) POLBTSHRALDH1A1
SCHEMBL19050631 0.79 POLB (0.42) POLBTSHRGABRA1GABRB2HPGD

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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US claimed
US-7777073-B2 Topical delivery system for antiaging and skin whitening agents BIODERM RESEARCH (US) 2010-08-17 US disclosed
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 POLB 247/4885TSHR 2624/4885GABRA1 4083/4885

“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.