SCHEMBL3477306

SCHEMBL3477306

CCCCCN(C#N)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2A6 P11509 2/20 0.42
MGLL Q99685 2/20 0.39
ALDH1A1 P00352 3/20 0.38
PGR P06401 1/20 0.38
CYP19A1 P11511 6/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL14454643 0.82 TSHR (0.51) TSHRHSD17B10CYP2A6MGLLALDH1A1
SCHEMBL13159000 0.81 NPC1 (0.45)
SCHEMBL9798418 0.78 TSHR (0.59) TSHRHSD17B10CYP2A6MGLLALDH1A1
SCHEMBL156302 0.78 TSHR (0.46) TSHRHSD17B10CYP2A6MGLLALDH1A1
SCHEMBL3474583 0.77 ALOX5 (0.48) TSHRALDH1A1HPGD
SCHEMBL13158975 0.76 TDP1 (0.42) HSD17B10
SCHEMBL9798544 0.74 INSR (0.46) TSHRHSD17B10MGLL
SCHEMBL9798548 0.74 INSR (0.46) TSHRHSD17B10MGLL
SCHEMBL11467913 0.74 PGR (0.47) TSHRHSD17B10MGLLALDH1A1PGR
SCHEMBL7877337 0.74 PGR (0.47) TSHRHSD17B10MGLLALDH1A1PGR

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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 TSHR 4393/4885HSD17B10 1800/4885CYP2A6 647/4885

“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.