SCHEMBL4960145

SCHEMBL4960145

CCCCOc1cccc(OCCCC)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
MCHR1 Q99705 2/20 0.49
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
LTA4H P09960 3/20 0.47
NR5A1 Q13285 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4960319 0.94 MEN1 (0.53) CYP1A2CYP2C9CYP2C19MCHR1ALOX5
SCHEMBL4959319 0.92 MEN1 (0.56) CYP1A2CYP2C9CYP2C19MCHR1ALOX5
SCHEMBL4958019 0.92 MEN1 (0.56) CYP1A2CYP2C9CYP2C19MCHR1ALOX5
SCHEMBL4958036 0.92 MEN1 (0.56) CYP1A2CYP2C9CYP2C19MCHR1ALOX5
SCHEMBL67765 0.92 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19MCHR1ALOX5
SCHEMBL4961274 0.92 MEN1 (0.56) CYP1A2CYP2C9CYP2C19MCHR1ALOX5
SCHEMBL4957643 0.92 MEN1 (0.56) CYP1A2CYP2C9CYP2C19MCHR1ALOX5
SCHEMBL11765117 0.92 MEN1 (0.56) CYP1A2CYP2C9CYP2C19MCHR1ALOX5
SCHEMBL4961982 0.89 MCHR1 (0.47) CYP1A2CYP2C9CYP2C19MCHR1ALOX5
SCHEMBL8996035 0.88 L3MBTL1 (0.51) CYP1A2CYP2C9CYP2C19MCHR1ALOX5

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281320-B1 POLYOLEFIN CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2001-08-28 US claimed
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
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-4100205-A Oxidative coupling of alkylphenols or 1-naphthols catalyzed by metal complexes of aminoketo compounds ICI AMERICAS INC. (US) 1978-07-11 US disclosed
US-4100206-A Oxidative coupling of alkylphenols or 1-naphthols catalyzed by metal complexes of keto alcohol compounds ICI AMERICAS INC. (US) 1978-07-11 US disclosed
US-4098830-A OXIDATIVE COUPLING OF ALKYLPHENOLS OR 1-NAPHTHOLS CATALYZED BY METAL COMPLEXES OF DICARBOXYLIC ACID COMPOUNDS ICI AMERICAS INC. (US) 1978-07-04 US disclosed
US-4097461-A Oxidative coupling of alkylphenols or 1-naphthols catalyzed by metal complexes of diketo compounds ICI AMERICAS INC. (US) 1978-06-27 US disclosed
US-4096190-A Oxidative coupling of alkylphenols catalyzed by metal ammonia complexes ICI AMERICAS INC. (US) 1978-06-20 US disclosed
US-4085124-A Oxidative coupling of alkylphenols, alkoxyphenols and 1-naphthols catalyzed by metal complexes of amino compounds ICI AMERICAS INC. (US) 1978-04-18 US disclosed
US-4070383-A COPPER COMPOUND-ANIONIC SURFACTANT-ALKALI METAL COMPOUND CATALYST SYSTEM ICI AMERICAS INC. (US) 1978-01-24 US disclosed
US-4067890-A Oxidative coupling of alkylphenols, alkoxyphenols and naphthols catalyzed by metal complexes of amino carboxylic and amino sulfonic acids ICI AMERICA INC. (US) 1978-01-10 US disclosed
US-4064158-A Process for the preparation of an organomercaptophenol from sulfur, a 2,6-disubstituted phenol, and an activated olefin or an epoxy compound GENERAL ELECTRIC COMPANY (US) 1977-12-20 US disclosed
US-3979460-A ANTIOXIDANTS GENERAL ELECTRIC COMPANY (US) 1976-09-07 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 CYP1A2 2439/4885CYP2C9 387/4885CYP2C19 423/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT CYP1A2 1906/4885CYP2C9 1102/4885CYP2C19 1370/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 CYP1A2 2426/4885CYP2C9 643/4885CYP2C19 1436/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 CYP1A2 673/4885CYP2C9 534/4885CYP2C19 478/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH CYP1A2 3782/4885CYP2C9 3933/4885CYP2C19 3633/4885

“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.