SCHEMBL1893774

SCHEMBL1893774

CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
MAPT P10636 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A4 P31645 1/20 0.39
CSNK1D P48730 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CSNK1G2 P78368 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL29716646 1.00 KIF11 (0.42) KIF11MAPTCA1CA2TSHR
SCHEMBL9470241 0.82 MCL1 (0.44) MAPTCA1CA2TSHRKDM4E
SCHEMBL30566936 0.81 KIF11 (0.47) KIF11MAPTTSHRKDM4ECSNK1D
SCHEMBL497451 0.81 KIF11 (0.47) KIF11MAPTTSHRKDM4ECSNK1D
SCHEMBL29438045 0.80 ALDH1A1 (0.48) KIF11MAPTCA1CA2TSHR
SCHEMBL29438049 0.80 ALDH1A1 (0.48) KIF11MAPTCA1CA2TSHR
SCHEMBL983124 0.80 ALDH1A1 (0.48) KIF11MAPTCA1CA2TSHR
SCHEMBL29447635 0.80 ALDH1A1 (0.48) KIF11MAPTCA1CA2TSHR
SCHEMBL3418351 0.80 ALDH1A1 (0.48) KIF11MAPTCA1CA2TSHR
SCHEMBL19798867 0.80 KIF11 (0.57) KIF11CA1CA2SLC6A4CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117423816-A Metal naphthalocyanine-graphene oxide composite material and preparation method and application thereof 德州学院 2024-01-19 CN claimed
CN-117423816-A Metal naphthalocyanine-graphene oxide composite material and preparation method and application thereof 德州学院 2024-01-19 CN disclosed
CN-113136112-B Near infrared absorbing dyes of broad spectral band 上海昀通电子科技有限公司 2023-04-28 CN disclosed
CN-113136112-A Near infrared absorbing dye with wide spectral band 上海昀通电子科技有限公司 2021-07-20 CN disclosed
US-20130210003-A1 COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2013-08-15 US disclosed
US-20130210003-A1 COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2013-08-15 US disclosed
US-20130210003-A1 COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2013-08-15 US disclosed
WO-2013055640-A2 INFRARED FLUORESCENT COMPOSITION HAVING POLYVINYL ACETAL BINDER EASTMAN KODAK COMPANY (US) 2013-04-18 WO disclosed
WO-2013055640-A2 INFRARED FLUORESCENT COMPOSITION HAVING POLYVINYL ACETAL BINDER EASTMAN KODAK COMPANY (US) 2013-04-18 WO disclosed
US-20130087740-A1 INFRARED FLUORESCENT COMPOSITION HAVING POLYVINYL ACETAL BINDER FPC INC. 2013-04-11 US disclosed
EP-1305632-A2 COMPOSITIONS FOR DETECTION OF MULTIPLE ANALYTES Dade Behring Marburg GmbH (DE) 2003-05-02 EP disclosed
WO-2001084157-A2 COMPOSITIONS FOR DETECTION OF MULTIPLE ANALYTES DADE BEHRING MARBURG GMBH (DE) 2001-11-08 WO disclosed
US-5889181-A REDUCING NITRO GROUP TO AMINE; DIAZOTIZATION; SULPHONATION;HYDROLYSIS UNIVERSITY OF SHERBROOKE (CA) 1999-03-30 US disclosed
US-5864044-A Syntheses of trisulfonated phthalocyanines and their derivatatives using boron (111) subphthalocyanines as intermediates UNIVERSITE DE SHERBROOKE (CA) 1999-01-26 US disclosed
US-5703229-A ALUMINUM PHTHALOCYANINE SUBSTITUTED WITH POLYESTER REACTIVE GROUPS; TAGGING THERMOPLASTIC WASTES FOR RECYCLING EASTMAN CHEMICAL COMPANY (US) 1997-12-30 US disclosed
US-5525516-A DISSOLVING NEAR INFRARED FLUORESCING COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 1996-06-11 US disclosed
WO-1996010620-A1 METHOD FOR TAGGING PETROLEUM PRODUCTS EASTMAN CHEMICAL COMPANY (US) 1996-04-11 WO disclosed
US-5461136-A Thermoplastic condensation polymer having copolymerized therein one or more near infrared fluorescing compounds EASTMAN CHEMICAL COMPANY (US) 1995-10-24 US disclosed
US-5397819-A Phthalocyanines, naphthalocyanines, sqarines; detectable when exposed to specified wavelength limits of electromagnetic radiation; recycling of wastes EASTMAN CHEMICAL COMPANY (US) 1995-03-14 US disclosed
US-4798781-A PHTHALO/NAPHTHALOCYANINE DYE/ MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-01-17 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 (1 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-20130210003-A1 COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES CYBB, CD14, MPO KIF11 4862/4885MAPT 3390/4885CA1 131/4885

“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.