SCHEMBL497451

SCHEMBL497451

CC(C)(C)c1ccc(C#N)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
ACACB O00763 1/20 0.44
AR P10275 6/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
XDH P47989 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL30566936 1.00 KIF11 (0.47) KIF11ACACBARALDH1A1HPGD
SCHEMBL10267017 0.86 ALDH1A1 (0.58) ARALDH1A1HSD17B10MAOAMAOB
SCHEMBL12724889 0.84 TSHR (0.46) KIF11ACACBARALDH1A1HPGD
SCHEMBL24988202 0.83 AR (0.49) AR
SCHEMBL20780709 0.83 AR (0.49) KIF11ARALDH1A1HPGDALOX15
SCHEMBL12169311 0.83 TSHR (0.45) KIF11ACACBARALDH1A1HPGD
SCHEMBL13945796 0.83 KIF11 (0.44) KIF11ACACBARALDH1A1HPGD
SCHEMBL14092961 0.82 XDH (0.44) ACACBARALDH1A1HPGDHSD17B10
SCHEMBL25762038 0.82 AR (0.42) KIF11ACACBARALDH1A1KDM4E
SCHEMBL24304581 0.82 XDH (0.46) ACACBXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072678-B Gadolinium phthalocyanine photosensitizer with multi-modal image navigation function and preparation method and application thereof 华南师范大学 2021-04-27 CN claimed
CN-108047089-B Preparation method of 4-tert-butyl phthalonitrile 湖南道仕医药科技有限公司 2020-09-11 CN claimed
CN-111072678-A Gadolinium phthalocyanine photosensitizer with multi-modal image navigation function and preparation method and application thereof 华南师范大学 2020-04-28 CN claimed
JP-61287964-A None JP disclosed
EP-3887428-B1 RESIN BLENDS INCLUDING PHTHALONITRILE RESIN AND THIADIAZOLE SUBSTITUTED PHTHALONITRILE COMPOUND, ARTICLES, COMPOUNDS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2026-05-27 EP disclosed
US-20250376548-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE RESIN FILM MANUFACTURED USING THE COMPOSITION, AND COLOR FILTER SAMSUNG SDI CO LTD (KR) 2025-12-11 US disclosed
EP-3965738-B1 METHOD FOR PRODUCTION OF LIPOSOMES UNIV DO MINHO (PT) 2025-08-06 EP disclosed
CN-116640461-B Core-shell dye, near infrared absorbing composition, and film, optical filter and complementary metal oxide semiconductor image sensor using the same 三星SDI株式会社 2025-05-30 CN disclosed
CN-120035640-A Coloring agent 住友化学株式会社 2025-05-23 CN disclosed
US-12291602-B2 Polymerizable compositions including a phthalonitrile resin and a polyoxometalate, articles, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2025-05-06 US disclosed
CN-116731078-B Near infrared two-region emission iridium phthalocyanine complex and application thereof 南京大学 2025-04-22 CN disclosed
WO-1995008772-A1 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS BIOSITE DIAGNOSTICS INCORPORATED (US) 1995-03-30 WO disclosed
US-5271872-A Laser-attenuative optical filter GENTEX CORPORATION (US) 1993-12-21 US disclosed
EP-0416632-A2 Organic nonlinear optical material UNITIKA LTD. (JP) 1991-03-13 EP disclosed
US-4916470-A Image bar with electrochromic switching system XEROX CORPORATION (US) 1990-04-10 US disclosed
JP-S61287964-A PRODUCTION OF T-BUTYL-SUBSTITUTED PHTHALOCYANINE AND ITS INTERMEDIATE NIPPON TELEGR & TELEPH CORP <NTT> 1986-12-18 JP disclosed
US-4529688-A Infrared sensitive phthalocyanine compositions XEROX CORPORATION (US) 1985-07-16 US disclosed
US-4492750-A Ablative infrared sensitive devices containing soluble naphthalocyanine dyes XEROX CORPORATION (US) 1985-01-08 US disclosed
EP-0032256-B1 PROCESS FOR THE MANUFACTURE OF METAL PHTHALOCYANINES BAYER AG (DE) 1983-06-29 EP disclosed
EP-0032256-A1 Process for the manufacture of metal phthalocyanines BAYER AG (DE) 1981-07-22 EP 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-20250376548-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE RESIN FILM MANUFACTURED USING THE COMPOSITION, AND COLOR FILTER LCP1, PRPF19, RBP1 KIF11 2730/4885ACACB 4617/4885AR 3607/4885

“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.