SCHEMBL4965472

SCHEMBL4965472

Oc1cccc(C2CC2)c1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 2/20 0.58
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 2/20 0.36
EGFR P00533 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 2/20 0.36
FYN P06241 2/20 0.36
MMP9 P14780 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL6152672 1.00 CHRNB2 (0.58) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL4961033 0.91 CHRNB2 (0.55) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL4962052 0.91 CHRNB2 (0.55) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL901458 0.90 CHRNB2 (0.53) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL4961639 0.90 CHRNB2 (0.53) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL4962002 0.90 CHRNB2 (0.53) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL4958023 0.90 CHRNB2 (0.53) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL4961704 0.90 CHRNB2 (0.53) CHRNB2CHRNA4MEN1KMT2AGAA
Phosphine SCHEMBL3630479 0.88 CHRNB2 (0.56) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL31090628 0.87 CHRNB2 (0.65) CHRNB2CHRNA4MEN1KMT2AGAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117990827-A Method for determining total amount of phenolic butyl and ester derivatives thereof in ferment plums by ultra-high performance liquid chromatography-tandem mass spectrometry 江阴市食品安全检测中心 2024-05-07 CN disclosed
WO-2018030550-A1 HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 WO disclosed
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 WO disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
EP-1871844-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C Technologies LLC (US) 2008-01-02 EP disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US 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 (5 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR CHRNB2 3361/4885CHRNA4 4162/4885MEN1 2817/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT CHRNB2 2229/4885CHRNA4 2383/4885MEN1 1113/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 CHRNB2 4137/4885CHRNA4 3945/4885MEN1 3449/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 CHRNB2 2001/4885CHRNA4 1208/4885MEN1 3755/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH CHRNB2 1801/4885CHRNA4 2131/4885MEN1 3006/4885

“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.