SCHEMBL5850163

SCHEMBL5850163

CC[N+]1=C(C)C(C)(C)c2cc(-c3ccc4c5c(cccc35)CC4)ccc21.F[B-](F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 4/20 0.32
HPGD P15428 3/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 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
SCHEMBL6981345 0.92 MEN1 (0.44) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5850212 0.77 MEN1 (0.58) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5850240 0.76 MEN1 (0.46) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5850333 0.75 MEN1 (0.50) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5850326 0.74 MEN1 (0.61) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5851863 0.73 MEN1 (0.48) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5850349 0.73 MEN1 (0.53) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5852119 0.73 MEN1 (0.56) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5850225 0.71 MAPT (0.51) LMNAMEN1MAPTKMT2AHTT
SCHEMBL5850480 0.71 LMNA (0.51) LMNAMEN1MAPTKMT2AHTT

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 LMNA 27/4885MEN1 1991/4885MAPT 344/4885

“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.