SCHEMBL16419608

SCHEMBL16419608

CCNCCC(=O)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
LMNA P02545 5/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
POLB P06746 1/20 0.65
GSK3B P49841 1/20 0.56
HPGD P15428 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CTNNB1 P35222 4/20 0.53
WNT3A P56704 3/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ERCC5 P28715 1/20 0.51

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
SCHEMBL4135291 0.94 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL170394 0.83 ALDH1A1 (0.69) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL691373 0.83 LMNA (0.59) ALDH1A1LMNAMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL11663088 0.82 HDAC1 (0.59) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL16404278 0.81 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL994292 0.81 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL691269 0.81 LMNA (0.57) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL13518261 0.81 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL992300 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL13517942 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2ANPC1

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
US-10370323-B2 Method for preparing chiral gamma-secondary amino alcohol SHANGHAI JIAOTONG UNIVERSITY (CN) 2019-08-06 US disclosed
US-20170275240-A1 METHOD FOR PREPARING CHIRAL gamma-SECONDARY AMINO ALCOHOL SHANGHAI JIAOTONG UNIVERSITY (CN) 2017-09-28 US disclosed
US-20170275240-A1 METHOD FOR PREPARING CHIRAL gamma-SECONDARY AMINO ALCOHOL SHANGHAI JIAOTONG UNIVERSITY (CN) 2017-09-28 US disclosed
US-9228213-B2 Polynucleotides encoding engineered ketoreductase polypeptides CODEXIS, INC. (US) 2016-01-05 US disclosed
US-9228213-B2 Polynucleotides encoding engineered ketoreductase polypeptides CODEXIS, INC. (US) 2016-01-05 US disclosed
US-20150031094-A1 POLYNUCLEOTIDES ENCODING ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-01-29 US disclosed
US-20150031094-A1 POLYNUCLEOTIDES ENCODING ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-01-29 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 (2 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-20170275240-A1 METHOD FOR PREPARING CHIRAL gamma-SECONDARY AMINO ALCOHOL AADAT, BCKDK, ADH5 ALDH1A1 572/4885LMNA 3331/4885MEN1 3703/4885
US-10370323-B2 Method for preparing chiral gamma-secondary amino alcohol AADAT, BCKDK, ADH5 ALDH1A1 572/4885LMNA 3331/4885MEN1 3703/4885

“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.