SCHEMBL5850231

SCHEMBL5850231

C=C1N(C)c2cccc(-c3ccccc3OC)c2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.41
KCNN4 O15554 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APP P05067 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
UGCG Q16739 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL5850234 0.78 HTR7 (0.42) HTR7MEN1KMT2AAPPALDH1A1
SCHEMBL11149823 0.71 MAPT (0.47) MEN1KMT2ADRD2ALDH1A1MAPT
SCHEMBL4601919 0.71 GAA (0.34) MEN1KMT2AAPPALDH1A1KDM4E
SCHEMBL9330615 0.69 MPI (0.41) MEN1KMT2AAPPALDH1A1KDM4E
SCHEMBL9750256 0.69 ALDH1A1 (0.35) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL301996 0.69 CA1 (0.71) HTR7MEN1KMT2AAPPALDH1A1
SCHEMBL29429633 0.69 CA1 (0.71) HTR7MEN1KMT2AAPPALDH1A1
SCHEMBL29788337 0.69 CA1 (0.71) HTR7MEN1KMT2AAPPALDH1A1
SCHEMBL7712519 0.68 MYC (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9750193 0.67 MAPT (0.41) DRD2ALDH1A1MAPTMAPK1ADRA1A

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 HTR7 891/4885KCNN4 1466/4885MEN1 1991/4885

“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.