SCHEMBL4960554

SCHEMBL4960554

CCCc1cc(O)c(CCC)c(CCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ALOX5 P09917 2/20 0.46
HMGCR P04035 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 1/20 0.39
BACE1 P56817 1/20 0.39
PTPN1 P18031 2/20 0.39
PTPN11 Q06124 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
TSHR P16473 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
SCHEMBL1179405 0.87 HTT (0.68) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL11684526 0.84 HPGD (0.37) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL16527769 0.81 CNR1 (0.61) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5586990 0.81 CYP2C9 (0.47) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL2172119 0.81 CNR2 (0.45) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL1179417 0.81 PTPN1 (0.56) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL31545718 0.80 HTT (0.59) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9742202 0.80 HTT (0.59) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL4961693 0.80 HTT (0.78) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL31545817 0.80 PTPN1 (0.47) HTTNPC1HPGDMAPK1RAB9A

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 16 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
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
US-4281204-A ALKYLATION, DECARBOXYLATION TO CYCLIZE FRITZSCHE DODGE & OLCOTT INC. (US) 1981-07-28 US disclosed
US-4261866-A PERFUMES AND PERFUME FIXATIVES FRITZSCHE DODGE & OLCOTT INC. (US) 1981-04-14 US disclosed
US-4203925-A Process for the production of spirodienones and spirocyclic ketones FRITZSCHE DODGE & OLCOTT INC. (US) 1980-05-20 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 HTT 755/4885NPC1 4491/4885HPGD 1611/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT HTT 1130/4885NPC1 3586/4885HPGD 2662/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 HTT 2749/4885NPC1 2933/4885HPGD 903/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 HTT 117/4885NPC1 4141/4885HPGD 795/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH HTT 177/4885NPC1 1265/4885HPGD 2899/4885

“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.