SCHEMBL5850640

SCHEMBL5850640

CC1=Nc2ccc(-c3ccc(C)cc3)cc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CCNE2 O96020 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
PDK2 Q15119 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5851896 0.88 CCNE2 (0.38) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL3910718 0.88 MEN1 (0.42) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL38661507 0.88 MEN1 (0.42) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL13223607 0.86 CCNE2 (0.37) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL13223606 0.86 MEN1 (0.35) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL101511 0.85 TDP1 (0.41) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL38660687 0.85 TDP1 (0.41) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL5851925 0.83 ADORA3 (0.34) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL13223603 0.81 RAD51 (0.41) MEN1KMT2ATDP1RAB9AALDH1A1
SCHEMBL5851723 0.79 KCNH2 (0.44) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056348-B2 5-aryl-1,3,3-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibers WELLA AG (DE) 2006-06-06 US disclosed
US-20030213071-A1 5-Aryl-1.3.3.-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibres Wella GmbH (DE) 2003-11-20 US disclosed
EP-1280773-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES Wella Aktiengesellschaft (DE) 2003-02-05 EP disclosed
WO-2002085854-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-10-31 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-20030213071-A1 5-Aryl-1.3.3.-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibres INMT, KRT18, IPO5 MEN1 1991/4885KMT2A 648/4885CCNE2 1565/4885

“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.