SCHEMBL3209772

SCHEMBL3209772

CCOc1cccc(NCCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
HDAC4 P56524 1/20 0.48
MEF2D Q14814 1/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
ALOX12 P18054 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
POLB P06746 1/20 0.47
PLAU P00749 1/20 0.46

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
SCHEMBL3196523 0.89 ALDH1A1 (0.58) HPGDHTTNR1H4SMN1; SMN2KMT2A
SCHEMBL3209163 0.87 THRB (0.59) NR1H4ALDH1A1MAPT
SCHEMBL5290036 0.85 HTT (0.55) HPGDHTTHSD17B10NR1H4SMN1; SMN2
SCHEMBL642526 0.85 MTNR1B (0.67) KMT2AMTNR1AMTNR1BNPC1RAB9A
SCHEMBL3200689 0.81 POLB (0.59) HPGDHTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL9145377 0.81 POLB (0.51) HTTHSD17B10NR1H4SMN1; SMN2KMT2A
SCHEMBL7801099 0.79 MAPK1 (0.58) HTTSMN1; SMN2KMT2AMTNR1AMTNR1B
SCHEMBL28208041 0.78 HTT (0.65) HTTHSD17B10NR1H4SMN1; SMN2KMT2A
SCHEMBL10992519 0.78 CYP3A4 (0.47) HPGDHTTHSD17B10NR1H4SMN1; SMN2
SCHEMBL28044727 0.78 CYP1A2 (0.49) HPGDHTTHSD17B10NR1H4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023531-A1 ESTROGEN RECEPTOR DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-02-23 WO disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 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 (3 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HPGD 1474/4885HTT 1249/4885HSD17B10 1123/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 HPGD 2394/4885HTT 2894/4885HSD17B10 2725/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HPGD 1299/4885HTT 1156/4885HSD17B10 1334/4885

“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.