SCHEMBL10074433

SCHEMBL10074433

CCCCOCC(N)c1cccc(C(=O)OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 3/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.38
RECQL P46063 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G2A P14555 1/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL800987 0.83 CYP1A2 (0.46) CYP1A2MAPTSMN1; SMN2GAACYP2C19
SCHEMBL10045808 0.80 TAAR1 (0.47) KMT2A
SCHEMBL29316578 0.78 CYP1A2 (0.39) CYP1A2MAPTSMN1; SMN2GAACYP2C19
SCHEMBL805224 0.77 DAGLA (0.38) CYP1A2SMN1; SMN2GAACYP2C19NPC1
SCHEMBL10074432 0.76 CYP1A2 (0.46) CYP1A2MAPTSMN1; SMN2GAACYP2C19
SCHEMBL29316554 0.75 FAAH (0.46) CYP1A2MAPTSMN1; SMN2GAACYP2C19
SCHEMBL2454872 0.74 MAPT (0.47) CYP1A2MAPTSMN1; SMN2GAACYP2C19
SCHEMBL18879240 0.73 CYP1A2 (0.45) CYP1A2MAPTSMN1; SMN2GAACYP2C19
SCHEMBL18672435 0.73 CYP1A2 (0.47) CYP1A2MAPTSMN1; SMN2GAACYP2C19
SCHEMBL25774953 0.73 CYP1A2 (0.51) CYP1A2MAPTSMN1; SMN2GAACYP2C19

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 US disclosed
WO-2007127173-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-11-08 WO 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 CYP1A2 4160/4885MAPT 2056/4885SMN1; SMN2 1040/4885

“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.