SCHEMBL5850324

SCHEMBL5850324

CC1=Nc2ccc(-c3ccc4ccccc4c3)cc2C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGER3 P43115 2/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL38661507 0.85 MEN1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5850008 0.85 MEN1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3910718 0.85 MEN1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5850402 0.85 ESR1 (0.47) ESR1ESR2CYP1A2CYP17A1CYP19A1
SCHEMBL5850208 0.81 MEN1 (0.50) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL9091328 0.80 KMT2A (0.50) MEN1KMT2ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL5850618 0.80 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL5851896 0.79 CCNE2 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL13223607 0.78 CCNE2 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13223606 0.78 MEN1 (0.35) MEN1KMT2A

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 648/4885LPL 4419/4885

“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.