SCHEMBL16013671

SCHEMBL16013671

CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SLC6A4 P31645 4/20 0.35
PDK2 Q15119 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
TBXA2R P21731 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MGLL Q99685 1/20 0.32
BACE1 P56817 1/20 0.32
PGR P06401 1/20 0.32
ICMT O60725 1/20 0.31
CYP19A1 P11511 2/20 0.30

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
SCHEMBL16023952 1.00 TSHR (0.38) TSHRHSD17B10CNR1CNR2SLC6A4
SCHEMBL16024254 1.00 TSHR (0.38) TSHRHSD17B10CNR1CNR2SLC6A4
SCHEMBL4502871 0.92 TSHR (0.43) TSHRHSD17B10CNR1CNR2SLC6A4
SCHEMBL3206468 0.92 TSHR (0.43) TSHRHSD17B10CNR1CNR2SLC6A4
SCHEMBL3330509 0.90 TSHR (0.46) TSHRHSD17B10CNR1CNR2PDK2
SCHEMBL17511218 0.89 PGR (0.39) SLC6A4PDK2DRD2DRD3BACE1
SCHEMBL13708994 0.87 LMNA (0.36) CNR1CNR2PDK2MGLL
SCHEMBL4532916 0.87 LMNA (0.36) CNR1CNR2PDK2MGLL
SCHEMBL197894 0.87 LMNA (0.36) CNR1CNR2PDK2MGLL
SCHEMBL1795138 0.87 LMNA (0.36) CNR1CNR2PDK2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013906-B1 POLYMERS BASED ON FUSED DIKETOPYRROLOPYRROLES BASF SE (DE) 2020-03-25 EP disclosed
EP-2964704-B1 HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF BASF SE (DE) 2018-05-16 EP disclosed
CN-105073902-B novel heterocyclic fluorescent dye and preparation method thereof 巴斯夫欧洲公司 2018-04-24 CN disclosed
US-9893302-B2 Heterocyclic fluorescent dyes and method of production thereof BASF SE (DE) 2018-02-13 US disclosed
US-9698348-B2 Polymers based on fused diketopyrrolopyrroles BASF SE (DE) 2017-07-04 US disclosed
US-9698348-B2 Polymers based on fused diketopyrrolopyrroles BASF SE (DE) 2017-07-04 US disclosed
US-9698348-B2 Polymers based on fused diketopyrrolopyrroles BASF SE (DE) 2017-07-04 US disclosed
US-20170133606-A1 NOVEL HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF CLAP CO., LTD. (KR) 2017-05-11 US disclosed
US-9595680-B2 Heterocyclic fluorescent dyes and method of production thereof BASF SE (DE) 2017-03-14 US disclosed
US-20160181534-A1 POLYMERS BASED ON FUSED DIKETOPYRROLOPYRROLES CLAP CO., LTD. (KR) 2016-06-23 US disclosed
US-20160181534-A1 POLYMERS BASED ON FUSED DIKETOPYRROLOPYRROLES CLAP CO., LTD. (KR) 2016-06-23 US disclosed
US-20160181534-A1 POLYMERS BASED ON FUSED DIKETOPYRROLOPYRROLES CLAP CO., LTD. (KR) 2016-06-23 US disclosed
EP-2964704-A1 NOVEL HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF BASF SE (DE) 2016-01-13 EP disclosed
US-20150380660-A1 NOVEL HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF BASF SE (DE) 2015-12-31 US disclosed
WO-2014206863-A1 POLYMERS BASED ON FUSED DIKETOPYRROLOPYRROLES BASF SE (DE) 2014-12-31 WO disclosed
WO-2014135491-A1 NOVEL HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF BASF SE (DE) 2014-09-12 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 (3 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-20150380660-A1 NOVEL HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF ORAI3, SLCO1B3, SLCO4C1 TSHR 4170/4885HSD17B10 1227/4885CNR1 2960/4885
US-20160181534-A1 POLYMERS BASED ON FUSED DIKETOPYRROLOPYRROLES PIN1, IK, FTO TSHR 3766/4885HSD17B10 3758/4885CNR1 4833/4885
US-20170133606-A1 NOVEL HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF ORAI3, SLCO1B3, SLCO4C1 TSHR 4170/4885HSD17B10 1227/4885CNR1 2960/4885

“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.