SCHEMBL5849880

SCHEMBL5849880

COc1ccc(-c2ccc3c(c2)C(C)(C)C(C)=[N+]3C)c(OC)c1.F[B-](F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.48
CYP1B1 Q16678 5/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2E1 P05181 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2A6 P11509 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP4B1 P13584 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP3A5 P20815 2/20 0.48
CYP2A7 P20853 2/20 0.48
CYP3A7 P24462 2/20 0.48
CYP2F1 P24903 2/20 0.48
CYP2C18 P33260 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2J2 P51589 2/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4F8 P98187 2/20 0.48

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
SCHEMBL4614366 0.85 VDR (0.53) CYP3A4VDRSMN1; SMN2MEN1NPC1
SCHEMBL4615881 0.79 VDR (0.58) CYP1A2CYP3A4CYP2A6VDRMEN1
Bromide SCHEMBL4614412 0.78 VDR (0.57) CYP1A2CYP3A4CYP2A6VDRMEN1
Iodide SCHEMBL6248897 0.78 VDR (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4613582 0.78 VDR (0.57) CYP3A4VDRSMN1; SMN2MEN1NPC1
SCHEMBL5851863 0.75 MEN1 (0.48) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL5852093 0.74 MEN1 (0.41) VDRMEN1MAPTKMT2AKDM4E
Sulfuric Acid SCHEMBL4616814 0.73 VDR (0.52) VDRSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL5850305 0.71 KDM4E (0.52) MEN1NPC1MAPTRAB9AKMT2A
Sulfuric Acid SCHEMBL4617371 0.71 VDR (0.50) VDRSMN1; SMN2MEN1NPC1MAPT

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 CYP1A1 131/4885CYP1B1 281/4885CYP1A2 570/4885

“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.