SCHEMBL5850339

SCHEMBL5850339

COc1ccc(-c2ccc3c(c2)C(C)(C)C(C)=N3)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.40
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
TLR8 Q9NR97 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
GSTP1 P09211 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 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
SCHEMBL5850332 0.88 CYP1A1 (0.50) EHMT2SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL3216062 0.84 EHMT2 (0.53) EHMT2SMN1; SMN2CYP1A2CYP3A4CYP2A6
Bromide SCHEMBL11866816 0.82 EHMT2 (0.51) EHMT2SMN1; SMN2CYP1A2CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL17824011 0.82 EHMT2 (0.51) EHMT2SMN1; SMN2CYP1A2CYP3A4CYP2A6
SCHEMBL10126936 0.75 EHMT2 (0.42) EHMT2SMN1; SMN2CYP1A2CYP3A4CYP2A6
SCHEMBL679848 0.72 SMN1; SMN2 (0.55) CYP11B1CYP11B2BACE1SMN1; SMN2CYP1A2
SCHEMBL10025088 0.71 SMN1; SMN2 (0.39) CYP11B1CYP11B2CTSDBACE1SMN1; SMN2
SCHEMBL5850640 0.71 MEN1 (0.37) SMN1; SMN2KDM4EMEN1RAB9AKMT2A
SCHEMBL5850008 0.70 MEN1 (0.42) BACE1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL38661507 0.70 MEN1 (0.42) BACE1SMN1; SMN2KDM4EMEN1NPC1

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 EHMT2 1212/4885CYP11B1 1191/4885CYP11B2 1932/4885

“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.