SCHEMBL3660975

SCHEMBL3660975

CCCCCN(CCCCC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.93
KDM4E B2RXH2 1/20 0.93
POLB P06746 1/20 0.93
GAA P10253 1/20 0.93
KMT2A Q03164 3/20 0.74
MEN1 O00255 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
PTPN11 Q06124 1/20 0.46
PTPRO Q16827 1/20 0.46
PPARA Q07869 1/20 0.45
RECQL P46063 1/20 0.40
STAT3 P40763 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KAT8 Q9H7Z6 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39

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
SCHEMBL264913 0.99 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL3656127 0.99 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL3659209 0.99 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL267885 0.96 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL11080174 0.95 ALDH1A1 (0.84) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL9628808 0.94 ALDH1A1 (0.82) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL10933445 0.94 ALDH1A1 (0.95) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL11083623 0.91 ALDH1A1 (0.78) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL264702 0.91 ALDH1A1 (0.85) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL11078373 0.89 ALDH1A1 (0.74) ALDH1A1KDM4EPOLBGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101939309-A Uva filter based on ascorbic acid derivatives MERCK PATENT GMBH 2011-01-05 CN disclosed
US-20100322880-A1 UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH 2010-12-23 US disclosed
US-20100322880-A1 UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH 2010-12-23 US disclosed
EP-2238121-A1 UVA FILTER BASED ON ASCORBIC ACID DERIVATIVES Merck Patent GmbH (DE) 2010-10-13 EP disclosed
WO-2009097951-A1 UVA FILTER BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2009-08-13 WO disclosed
US-5166350-A Process for the manufacture of fluoran compounds CIBA-GEIGY CORPORATION (US) 1992-11-24 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-20100322880-A1 UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES C1R, VDR, C1S ALDH1A1 80/4885KDM4E 3422/4885POLB 2018/4885

“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.