SCHEMBL10111633

SCHEMBL10111633

CC1=Nc2cc(C)ccc2C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MDM2 Q00987 1/20 0.40
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 2/20 0.33
TP53 P04637 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
SCHEMBL38660687 0.83 TDP1 (0.41) TDP1RAB9ACASP3ATMNPSR1
SCHEMBL101511 0.83 TDP1 (0.41) TDP1RAB9ACASP3ATMNPSR1
SCHEMBL21552111 0.80 NPSR1 (0.36) TDP1RAB9ACASP3ATMNPSR1
SCHEMBL10031420 0.80 MEN1 (0.35) TDP1RAB9ACASP3ATMNPSR1
SCHEMBL10126936 0.77 EHMT2 (0.42) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4358306 0.76 HSD17B10 (0.36) TDP1RAB9ACASP3ATMNPSR1
SCHEMBL9371847 0.74 MAPT (0.47) TDP1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL12153325 0.74 GAA (0.33) TDP1RAB9ACASP3ATMNPSR1
SCHEMBL5695447 0.74 TDP1 (0.39) TDP1RAB9ACASP3ATMNPSR1
SCHEMBL5274068 0.74 MEN1 (0.35) MEN1KMT2A

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-20180088123-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-03-29 US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 US disclosed
US-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 US disclosed
US-20120052506-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 US disclosed
WO-2011096643-A1 PHOTOCHROMIC MATERIAL KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2011-08-11 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 (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-20120052506-A1 CYANINE DYES ABCG2, IK, ACR TDP1 2918/4885RAB9A 1851/4885CASP3 875/4885
US-20180088123-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES ALB, EPCAM, ELAVL1 TDP1 4188/4885RAB9A 333/4885CASP3 3179/4885

“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.