SCHEMBL4599393

SCHEMBL4599393

CC(C)(C)c1cccc2cc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
KIF11 P52732 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NQO1 P15559 1/20 0.39
CYP1A2 P05177 4/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ERBB2 P04626 1/20 0.36

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
SCHEMBL29405311 1.00 CA2 (0.43) CA2ALDH1A1TSHRTDP1KDM4E
Naphthalene SCHEMBL1637639 0.98 CA2 (0.41) CA2ALDH1A1TSHRTDP1KDM4E
Tert-Butanol SCHEMBL28209873 0.94 CA2 (0.43) CA2ALDH1A1TSHRTDP1KDM4E
Formaldehyde SCHEMBL28438122 0.94 ALDH1A1 (0.42) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL28423964 0.91 CA2 (0.46) CA2ALDH1A1TSHRTDP1KDM4E
Hydroquinone SCHEMBL28095978 0.91 CA2 (0.45) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL27661667 0.84 TRPA1 (0.39) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL6135770 0.83 TRPA1 (0.38) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL7951292 0.81 CA2 (0.41) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL22288148 0.80 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EGAAKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294778-B A kind of Ni-based complex and its preparation method and application 中山大学 2018-03-16 CN claimed
CN-105294778-A Nickel base complex, and preparation method and application thereof UNIV SUN YAT SEN 2016-02-03 CN claimed
US-12404240-B2 Photobase generator, compound, photoreactive composition, and reaction product TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2025-09-02 US disclosed
EP-4011864-B1 PHOTOBASE GENERATOR COMPOUNDS AND PHOTOREACTIVE COMPOSITIONS COMPRISING THEM UNIV TOKYO SCIENCE FOUND (JP) 2023-11-08 EP disclosed
CN-110896635-B Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2023-11-03 CN disclosed
WO-2023008534-A1 SUBSTRATE LAMINATE, IMAGE SENSOR, AND METHOD FOR MANUFACTURING SUBSTRATE LAMINATE 株式会社カネカ 2023-02-02 WO disclosed
US-20220340528-A1 Photobase Generator, Compound, Photoreactive Composition, and Reaction Product TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2022-10-27 US disclosed
WO-2022210799-A1 SUBSTRATE STACK, IMAGE SENSOR, AND METHOD FOR MANUFACTURING SUBSTRATE STACK 株式会社カネカ 2022-10-06 WO disclosed
WO-2022210798-A1 OPTICAL SEMICONDUCTOR DEVICE, METHOD FOR MANUFACTURING SAME, SOLID-STATE IMAGING DEVICE, AND ELECTRONIC APPARATUS 株式会社カネカ 2022-10-06 WO disclosed
WO-2022210797-A1 NEGATIVE PHOTOSENSITIVE COMPOSITION, OPTICAL SEMICONDUCTOR DEVICE, SOLID-STATE IMAGING DEVICE AND ELECTRONIC DEVICE 株式会社カネカ 2022-10-06 WO disclosed
EP-4011864-A1 PHOTOBASE GENERATOR, COMPOUND, PHOTOREACTIVE COMPOSITION, AND REACTION PRODUCT Tokyo University of Science Foundation (JP) 2022-06-15 EP disclosed
US-5445917-A Superacid precursor to catalyze thermal decomposition of secondary acid generator, such as squaric acid and oxalic acid derivatives; effecting color change in imaging process POLAROID CORPORATION (US) 1995-08-29 US disclosed
EP-0665961-A1 IMAGING MEDIUM AND PROCESS. POLAROID CORP (US) 1995-08-09 EP disclosed
EP-0665960-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1995-08-09 EP disclosed
US-5401607-A Iodonium salt and squarylium dye with pyrilium group for acid formation POLAROID CORPORATION (US) 1995-03-28 US disclosed
US-5395736-A Exposing superoxide precursor to actinic radiation, generating superacid, mixing with oxalic acid diester, heating POLAROID CORPORATION (US) 1995-03-07 US disclosed
US-5334489-A Hydroxylating 3,4-disubstituted-cyclobut-3-ene-1,2-dione by heating in presence of acid catalysts which is generated by exposing actinic radiation from superacid precursor POLAROID CORPORATION (US) 1994-08-02 US disclosed
WO-1994010606-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1994-05-11 WO disclosed
WO-1994010607-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1994-05-11 WO disclosed
US-5286612-A Mixture of superacid precursor and dye POLAROID CORPORATION (US) 1994-02-15 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 (2 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-12404240-B2 Photobase generator, compound, photoreactive composition, and reaction product GNB1, GNG2, PPOX CA2 2564/4885ALDH1A1 3199/4885TSHR 2472/4885
US-20220340528-A1 Photobase Generator, Compound, Photoreactive Composition, and Reaction Product GNB1, GNG2, PPOX CA2 2564/4885ALDH1A1 3199/4885TSHR 2472/4885

“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.