SCHEMBL2989574

SCHEMBL2989574

O=C(O)[C@@H]1CCCN1CCc1cc(O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
CYP2C19 P33261 1/20 0.44
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC6A1 P30531 2/20 0.40
SLC6A9 P48067 2/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
CD274 Q9NZQ7 3/20 0.38
HTT P42858 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
SCHEMBL2987551 0.90 CYP1A2 (0.45) CYP1A2HRH3CYP2C19SMN1; SMN2SLC6A1
SCHEMBL2982368 0.84 HRH3 (0.64) CYP1A2HRH3CYP2C19SMN1; SMN2SLC6A9
SCHEMBL2982530 0.79 EGFR (0.41) CYP1A2HRH3CYP2C19EGFRLCK
SCHEMBL2987386 0.78 SPHK2 (0.49) HRH3
SCHEMBL2982535 0.78 EGFR (0.40) CYP1A2CYP2C19EGFRLCKCD274
SCHEMBL2988327 0.77 CYP2C19 (0.47) CYP1A2HRH3CYP2C19SMN1; SMN2SLC6A1
SCHEMBL1116547 0.75 ALDH1A1 (0.56) CYP1A2HRH3CYP2C19SMN1; SMN2
SCHEMBL2032734 0.75 ALDH1A1 (0.56) CYP1A2HRH3CYP2C19SMN1; SMN2
SCHEMBL6601839 0.74 HRH3 (0.50) HRH3SMN1; SMN2SLC6A9CD274
SCHEMBL8122367 0.73 ALDH1A1 (0.40) CYP1A2HRH3CYP2C19SMN1; SMN2SLC6A1

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 CYP1A2 277/4885HRH3 2035/4885CYP2C19 678/4885

“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.