SCHEMBL7745668

SCHEMBL7745668

CC1=C(C)C(=O)C(Br)=C(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50

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
SCHEMBL1393351 0.93 ALDH1A1 (0.62) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL31415086 0.90 ALDH1A1 (0.52) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9518495 0.87 ALDH1A1 (0.56) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL20362151 0.86 ALDH1A1 (0.48) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL13581861 0.82 MAOA (0.36) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL14507717 0.81 ALDH1A1 (0.52) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5588964 0.79 ALDH1A1 (0.48) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
Duroquinone SCHEMBL58325 0.78 MAOA (0.38) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
Duroquinone SCHEMBL11473070 0.73 MAOA (0.36)
SCHEMBL10486657 0.73 MAOA (0.36) ALDH1A1TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106565423-A Method for synthesizing trimethylhydroquinone through pseudocumene 浙江新和成药业有限公司 2017-04-19 CN claimed
CN-106565423-A Method for synthesizing trimethylhydroquinone through pseudocumene 浙江新和成药业有限公司 2017-04-19 CN disclosed
US-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2012-09-13 US disclosed
US-6248497-B1 LIGHT SENSITIVE AND HEAT SENSITIVE RECORDING IMAGES FUJI PHOTO FILM CO., LTD. (JP) 2001-06-19 US disclosed
EP-0327318-B1 Heat-sensitive recording materials FUJI PHOTO FILM CO LTD (JP) 1995-07-19 EP disclosed
US-4975353-A Support and layer of diazo compound, coupling component for coloration and basic compound FUJI PHOTO FILM CO., LTD. (JP) 1990-12-04 US disclosed
US-4895826-A STORAGE STABILITY; DISCOLORATION INHIBITION FUJI PHOTO FILM CO., LTD. (JP) 1990-01-23 US disclosed
US-4891297-A STORAGE STABILITY, HIGH COLOR DENSITY FUJI PHOTO FILM CO.,LTD. (JP) 1990-01-02 US disclosed
EP-0327318-A2 Heat-sensitive recording materials FUJI PHOTO FILM CO., LTD. (JP) 1989-08-09 EP disclosed
EP-0323887-A2 Heat-sensitive diazo recording materials FUJI PHOTO FILM CO., LTD. (JP) 1989-07-12 EP disclosed
EP-0288240-A2 Heat-sensitive diazo recording material FUJI PHOTO FILM CO., LTD. (JP) 1988-10-26 EP disclosed
US-4758495-A Diazo microcapsule recording material prepared using ion exchange treatment FUJI PHOTO FILM CO., LTD. (JP) 1988-07-19 US disclosed
US-4737484-A Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1988-04-12 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-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE GRPR, GIPR, CCKBR ALDH1A1 4802/4885TP53 3407/4885CYP1A2 4866/4885

“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.