Sugi Predict

Sugi Predict / Compounds / SCHEMBL5710076

SCHEMBL5710076

SCHEMBL5710076

CCCCCCCCCCCCCCCCOC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.61
▸ CACNA1F O60840 6/20 0.60
▸ CACNA1D Q01668 6/20 0.60
▸ CACNA1S Q13698 6/20 0.60
▸ CACNA1C Q13936 6/20 0.60
▸ KMT2A Q03164 3/20 0.55
▸ TP53 P04637 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ADRB2 P07550 2/20 0.53
▸ ADRB1 P08588 2/20 0.53
▸ ADRB3 P13945 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CES2 O00748 1/20 0.51

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
SCHEMBL2820949 1.00 ESR1 (0.61) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2822090 1.00 ESR1 (0.61) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3389458 0.95 KMT2A (0.57) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3391506 0.89 LMNA (0.61) KMT2ATP53LMNAMEN1MAPT
SCHEMBL11527944 0.87 MEN1 (0.55) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3646790 0.86 TP53 (0.56) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL9169504 0.86 ESR1 (0.71) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11700483 0.86 ESR1 (0.71) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9164746 0.86 ESR1 (0.71) ESR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9678186 0.86 ESR1 (0.71) ESR1CACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4865648-A ELECTRON DONOR DYE; ESTER; PHENOL, CARBOXY ACID, PHOSPHATE ESTER, TRIAZOLE KITO TSUTOMU (JP) 1989-09-12 — — US claimed
US-4720301-A Reversible heat sensitive recording composition PILOT INK CO., LTD. (JP) 1988-01-19 — — US claimed
CN-108329746-B Compounds for reducing background color in color change compositions 西甘产业股份有限公司 2022-08-02 — — CN disclosed
US-11225100-B2 Tunable directional color transition compositions and methods of making and using the same SEGAN INDUSTRIES, INC. (US) 2022-01-18 — — US disclosed
EP-2969582-B1 COMPOUNDS FOR REDUCING BACKGROUND COLOR IN COLOR CHANGE COMPOSITIONS SEGAN IND INC (US) 2021-06-02 — — EP disclosed
US-10570294-B2 Compounds for reducing background color in color change compositions SEGAN INDUSTRIES, INC. (US) 2020-02-25 — — US disclosed
US-20190204280-A1 Tunable Directional Color Transition Compositions and Methods of Making and Using the Same SEGAN INDUSTRIES, INC. 2019-07-04 — — US disclosed
US-20190142713-A1 Optical Evanescent Color Change Compositions and Methods of Making and Using the Same SEGAN INDUSTRIES, INC. 2019-05-16 — — US disclosed
EP-3443042-A1 OPTICAL EVANESCENT COLOR CHANGE COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME Segan Industries, Inc. (US) 2019-02-20 — — EP disclosed
US-10168307-B1 Tunable directional color transition compositions and methods of making and using the same SEGAN INDUSTRIES, INC. (US) 2019-01-01 — — US disclosed
EP-2772523-B1 REVERSIBLY THERMOCHROMIC COMPOSITION PILOT CORPORATION KK (JP) 2018-11-28 — — EP disclosed
CN-103998569-A Reversibly thermochromic composition PILOT CORP 2014-08-20 — — CN disclosed
US-8569208-B1 Tunable directional color transition compositions and methods of making and using the same SEGAN INDUSTRIES, INC. (US) 2013-10-29 — — US disclosed
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 — — EP disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 — — US disclosed
US-6165234-A FOR IMPARTING REVERSIBLE COLOR CHANGES TO WAXES AND CANDLES WHEN HEATED OR WHEN WAX MELTS OR WHEN THE CANDLE BURNS KANAKKANATT SEBASTIAN V (US) 2000-12-26 — — US disclosed
US-4865648-A ELECTRON DONOR DYE; ESTER; PHENOL, CARBOXY ACID, PHOSPHATE ESTER, TRIAZOLE KITO TSUTOMU (JP) 1989-09-12 — — US disclosed
US-4720301-A Reversible heat sensitive recording composition PILOT INK CO., LTD. (JP) 1988-01-19 — — US disclosed
US-4465763-A OIL SOLUBLE TRIAZINE COMPOUND AND A PHENYL AMINE COUPLER CIBA GEIGY AG (CH) 1984-08-14 — — US disclosed
US-4404273-A Process for the production of photographic color images by the silver dye bleach process CIBA-GEIGY AG (CH) 1983-09-13 — — 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-20190142713-A1 Optical Evanescent Color Change Compositions and Methods of Making and Using the Same ERCC1, XPA, ERCC5 ESR1 260/4885CACNA1F 2584/4885CACNA1D 3008/4885

“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.