SCHEMBL467119

SCHEMBL467119

[c]1c(-c2cccc3c2[nH]c2ccccc23)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
BCHE P06276 1/20 0.49
PARP14 Q460N5 11/20 0.41
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL2532755 0.87 KIF11 (0.46) KIF11BCHEPARP14GABRPGABRD
SCHEMBL5009823 0.81 BCHE (0.46) KIF11BCHEPARP14HTR2BHTR5A
SCHEMBL7670606 0.79 GABRP (0.47) KIF11BCHEPARP14GABRPGABRD
SCHEMBL668159 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10
SCHEMBL29733506 0.75 KIF11 (0.63) KIF11BCHEPARP14GABRPGABRD
SCHEMBL208113 0.75 KIF11 (0.63) KIF11BCHEPARP14GABRPGABRD
SCHEMBL668632 0.74 ALDH1A1 (0.38) BCHEALDH1A1HSD17B10
SCHEMBL20774242 0.74 HPRT1 (0.50) ALDH1A1HSD17B10
SCHEMBL29986487 0.74 BCHE (0.64) KIF11BCHEPARP14GABRPGABRD
SCHEMBL147411 0.74 BCHE (0.64) KIF11BCHEPARP14GABRPGABRD

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527317-B Electroluminescent material and device 北京夏禾科技有限公司 2023-12-26 CN claimed
US-6979414-B2 laminated interlayer a carbazole derivative; organoluminesce element for automobile use; heat resistant; emits fluorescence even at high temperature IDEMITSU KOSAN CO., LTD. (JP) 2005-12-27 US claimed
US-20050222429-A1 laminated interlayer a carbazole derivative; organoluminesce element for automobile use; heat resistant; emits fluorescence even at high temperature IDEMITSU KOSAN CO., LTD. (JP) 2005-10-06 US claimed
US-6660410-B2 Organic luminescence layer having a carbazole derivative with a glass-transition temperature of 110 degrees C. or higher, and a phosphorescent dopant; possible triplet exciton state at room temperature IDEMITSU KOSAN CO., LTD. (JP) 2003-12-09 US claimed
US-20240067618-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2024-02-29 US disclosed
CN-113527317-B Electroluminescent material and device 北京夏禾科技有限公司 2023-12-26 CN disclosed
WO-2020085845-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-04-30 WO disclosed
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 US disclosed
EP-2399577-A1 Use of N-containing spirocompounds for the enhancement of cognitive function Adolor Corporation (US) 2011-12-28 EP disclosed
US-8071611-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-12-06 US disclosed
US-8022060-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-09-20 US disclosed
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-09-08 US disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
EP-1871761-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE Adolor Corporation (US) 2008-01-02 EP disclosed
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2006-11-30 US disclosed
WO-2006105442-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2006-10-05 WO disclosed
EP-1675847-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE Adolor Corporation (US) 2006-07-05 EP disclosed
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION 2005-07-21 US disclosed
WO-2005033073-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-04-14 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 (6 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-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 KIF11 4543/4885BCHE 3809/4885PARP14 3968/4885
US-20240067618-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME SOD1, L1CAM, ACHE KIF11 3211/4885BCHE 628/4885PARP14 1036/4885
US-20050222429-A1 laminated interlayer a carbazole derivative; organoluminesce element for automobile use; heat resistant; emits fluorescence even at high temperature IL33, HSF1, WEE1 KIF11 1553/4885BCHE 3025/4885PARP14 3196/4885
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 KIF11 4543/4885BCHE 3809/4885PARP14 3968/4885
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 KIF11 4543/4885BCHE 3809/4885PARP14 3968/4885
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 KIF11 4543/4885BCHE 3809/4885PARP14 3968/4885

“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.