SCHEMBL6730380

SCHEMBL6730380

CC(C)(C)c1ccc(OP)c(Oc2ccc(C(C)(C)C)cc2Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
APEX1 P27695 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPV1 Q8NER1 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL29445880 0.86 CA1 (0.42) CA1CA2CA9APEX1KDM4E
SCHEMBL84279 0.86 CA1 (0.42) CA1CA2CA9APEX1KDM4E
SCHEMBL13174533 0.85 KDM4E (0.44) CA1CA2CA9KDM4EALDH1A1
SCHEMBL23629763 0.83 CA1 (0.38) CA1CA2CA9APEX1KDM4E
SCHEMBL12889522 0.78 CA1 (0.37) CA1CA2CA9APEX1KDM4E
SCHEMBL20360326 0.77 ALDH1A1 (0.40) CA1CA2CA9APEX1ALDH1A1
SCHEMBL14295902 0.76 ATM (0.54) CA1CA2CA9KDM4EMAPT
Phosphoric Acid SCHEMBL28386686 0.76 APEX1 (0.41) CA1CA2CA9APEX1KDM4E
SCHEMBL28857734 0.74 CA1 (0.44) CA1CA2CA9KDM4EALDH1A1
SCHEMBL28425202 0.74 CA1 (0.44) CA1CA2CA9APEX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275235-A1 METHOD FOR SELECTIVE PALLADIUM-CATALYZED TELOMERIZATION OF SUBSTITUTED DIENES INT FLAVORS & FRAGRANCES INC (US) 2017-09-28 US disclosed
US-9617418-B2 Polycarbonate resin composition and optical molded article SUMIKA STYRON POLYCARBONATE LIMITED (JP) 2017-04-11 US disclosed
US-9512147-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-20160326365-A1 POLYCARBONATE RESIN COMPOSITION AND OPTICAL MOLDED ARTICLE SUMIKA POLYCARBONATE LIMITED (JP) 2016-11-10 US disclosed
US-20160090467-A1 RESIN COMPOSITION, FILM, POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE, AND BIS TYPE ALICYCLIC CARDO PHENOL COMPOUND FUJIFILM CORPORATION (JP) 2016-03-31 US disclosed
US-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-24 US disclosed
US-20150124152-A1 NEAR-INFRARED ABSORPTIVE COMPOSITION, NEAR-INFRARED CUT FILTER USING NEAR-INFRARED ABSORPTIVE COMPOSITION, METHOD FOR MANUFACTURING NEAR-INFRARED CUT FILTER, AND CAMERA MODULE AND METHOD FOR MANUFACTURING CAMERA MODULE FUJIFILM CORPORATION (JP) 2015-05-07 US disclosed
US-8353586-B2 Ink jet printer, ink jet recording method, and recorded matter SEIKO EPSON CORPORATION (JP) 2013-01-15 US disclosed
US-20120120147-A1 Ink Jet Printer, Ink Jet Recording Method, and Recorded Matter SEIKO EPSON CORPORATION (JP) 2012-05-17 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 (3 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-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 CA1 4324/4885CA2 3601/4885CA9 1438/4885
US-20160090467-A1 RESIN COMPOSITION, FILM, POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE, AND BIS TYPE ALICYCLIC CARDO PHENOL COMPOUND RRS1, XIAP, ARID2 CA1 1148/4885CA2 2079/4885CA9 2851/4885
US-20170275235-A1 METHOD FOR SELECTIVE PALLADIUM-CATALYZED TELOMERIZATION OF SUBSTITUTED DIENES TELO2, MCM5, TAF5 CA1 2449/4885CA2 4007/4885CA9 3817/4885

“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.