SCHEMBL16673113

SCHEMBL16673113

C1CCC(C(NC(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX1 P07099 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33

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
SCHEMBL4744820 0.75 SHBG (0.48) ALDH1A1EPHX1CA12CA1SHBG
SCHEMBL29673218 0.75 SHBG (0.42) ALDH1A1HSD17B10EPHX1CA12CA1
SCHEMBL28085019 0.75 ALDH1A1 (0.38) ALDH1A1HSD17B10EPHX1SHBGTP53
SCHEMBL28482536 0.74 SHBG (0.37) EPHX1CA12CA1SHBGTP53
SCHEMBL9963359 0.71 TDP1 (0.41)
SCHEMBL8861122 0.69 EPHX1 (0.37) ALDH1A1HSD17B10EPHX1CA12CA1
SCHEMBL20956954 0.69 EPHX1 (0.48) ALDH1A1HSD17B10EPHX1CA12CA1
SCHEMBL6557485 0.69 CA12 (0.47) ALDH1A1HSD17B10EPHX1CA12CA1
SCHEMBL15099936 0.69 TP53 (0.44) ALDH1A1HSD17B10EPHX1TP53KDM4E
SCHEMBL16800874 0.69 EPHX1 (0.42) ALDH1A1HSD17B10EPHX1SHBGTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066070-B1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE-N, O-ACETALS OR ESTERIMIDES EVONIK DEGUSSA GMBH (DE) 2019-07-17 EP disclosed
CN-105873897-B For preparing the catalytic hydrogenation of amine from amide acetals, ketenes N, O- acetal or ester acid imide 赢创德固赛有限公司 2018-06-15 CN disclosed
US-9890108-B2 Catalytic hydrogenation for the preparation of amines from amide acetals, ketene N, O-acetals or ester imides EVONIK DEGUSSA GMBH (DE) 2018-02-13 US disclosed
US-20160264513-A1 Catalytic Hydrogenation for the Preparation of Amines from Amide Acetals, Ketene N,O-Acetals or Ester Imides EVONIK DEGUSSA GMBH (DE) 2016-09-15 US disclosed
EP-3066070-A1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE N,O-ACETALS OR ESTER IMIDES Evonik Degussa GmbH (DE) 2016-09-14 EP disclosed
WO-2015067448-A1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE N,O-ACETALS OR ESTER IMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 WO disclosed
EP-2868652-A1 Catalytic hydrogenation for the preparation of amines from amide acetals, ketene-N, O-acetals or esterimides Evonik Industries AG (DE) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 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-20160264513-A1 Catalytic Hydrogenation for the Preparation of Amines from Amide Acetals, Ketene N,O-Acetals or Ester Imides H1-0, H1-2, H1-10 ALDH1A1 898/4885HSD17B10 295/4885EPHX1 1296/4885
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 1423/4885HSD17B10 1164/4885EPHX1 523/4885

“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.