SCHEMBL4958880

SCHEMBL4958880

O=C(OC(=O)c1c(Cl)ccc2ccccc12)c1c(Cl)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
ABCG2 Q9UNQ0 2/20 0.43
NCEH1 Q6PIU2 3/20 0.42
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
WDR5 P61964 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL22401512 0.86 NCEH1 (0.57) CYP2A6NCEH1KDM4EKMT2AMEN1
SCHEMBL3146455 0.81 HSD17B10 (0.59) CYP2A6ABCG2CYP1A2KDM4EKMT2A
SCHEMBL6609007 0.81 ALDH1A1 (0.54) CYP2A6ABCG2NCEH1CYP1A2KDM4E
SCHEMBL10880498 0.79 ABCG2 (0.53) ABCG2CYP1A2KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL11726958 0.79 KMT2A (0.57) CYP2A6ABCG2CYP1A2KDM4EKMT2A
SCHEMBL2424747 0.79 NCEH1 (0.51) CYP2A6ABCG2NCEH1CYP1A2KDM4E
SCHEMBL28787735 0.79 CYP2A6 (0.46) CYP2A6ABCG2NCEH1CYP1A2KDM4E
SCHEMBL10771128 0.79 ALDH1A1 (0.47) CYP2A6ABCG2NCEH1CYP1A2KDM4E
SCHEMBL4960184 0.78 NCEH1 (0.42) CYP2A6ABCG2NCEH1CYP1A2KDM4E
SCHEMBL5457127 0.78 NCEH1 (0.42) CYP2A6NCEH1CYP1A2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101501144-B Polyhedral oligomeric silsesquioxane (POSS) based fluorescent colorants CIBA HOLDING INC 2013-06-19 CN 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-2006105260-A1 ORAL 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-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO 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

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 CYP2A6 1500/4885ABCG2 3325/4885NCEH1 2578/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT CYP2A6 873/4885ABCG2 3096/4885NCEH1 619/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 CYP2A6 1263/4885ABCG2 4255/4885NCEH1 120/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 CYP2A6 504/4885ABCG2 1145/4885NCEH1 594/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH CYP2A6 3881/4885ABCG2 3105/4885NCEH1 696/4885

“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.