SCHEMBL6023614

SCHEMBL6023614

O=C(CN1CCNCC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50
HDAC1 Q13547 1/20 0.49
GRIN2B Q13224 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
NR2F2 P24468 1/20 0.49
PTPN1 P18031 1/20 0.49
GSK3B P49841 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR1 O14842 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL1189519 0.90 ALDH1A1 (0.63) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL24672685 0.89 ALDH1A1 (0.61) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL12367170 0.89 ALDH1A1 (0.61) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
Hydrochloric Acid SCHEMBL1763146 0.89 ALDH1A1 (0.61) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL2949900 0.81 HPGD (0.60) RAB9ASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL20421677 0.81 MEN1 (0.47) SMN1; SMN2ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL4877367 0.81 KMT2A (0.53) RAB9AALDH1A1MAPTMAPK1POLB
SCHEMBL6035088 0.81 ALDH1A1 (0.61) RAB9ASMN1; SMN2ALDH1A1MAPTCYP3A4
SCHEMBL2548153 0.81 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL28143892 0.81 MEN1 (0.47) SMN1; SMN2ALDH1A1MAPTCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078407-B2 4-hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-18 US disclosed
US-20030162789-A1 4-Hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-08-28 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-20030162789-A1 4-Hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them HTT, PARK7, NQO1 RAB9A 331/4885SMN1; SMN2 140/4885ALDH1A1 804/4885

“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.