Sugi Predict

Sugi Predict / Compounds / SCHEMBL5710089

SCHEMBL5710089

SCHEMBL5710089

CCCCCCCCCCOC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ AKR1C4 P17516 1/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C2 P52895 1/20 0.57
▸ AKR1C1 Q04828 1/20 0.57
▸ TSHR P16473 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ NR1H2 P55055 1/20 0.54
▸ RNASEL Q05823 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ STS P08842 4/20 0.53

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
Trimethylammonium SCHEMBL10822041 0.96 ESR1 (0.57) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL9770010 0.88 ESR1 (0.67) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL9770004 0.88 ALDH1A1 (0.58) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL6683939 0.88 ESR1 (0.62) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL21221663 0.88 ESR1 (0.62) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL5803819 0.87 ALDH1A1 (0.59) ESR1ALDH1A1NPC1TSHRLMNA
SCHEMBL8897841 0.87 ALDH1A1 (0.57) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL8897849 0.87 ALDH1A1 (0.65) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL11116165 0.87 ALDH1A1 (0.65) ESR1ALDH1A1NPC1MAPTRAB9A
SCHEMBL2450252 0.87 ALDH1A1 (0.57) ESR1ALDH1A1NPC1MAPTRAB9A

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 31 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
CN-109476946-A Optics fadout color-changing composition and its method made and used 西甘产业股份有限公司 2019-03-15 — — CN 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-A1 REVERSIBLY THERMOCHROMIC COMPOSITION Kabushiki Kaisha Pilot Corporation (JP) 2014-09-03 — — EP 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-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP 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
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO 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

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 260/4885ALDH1A1 1999/4885NPC1 627/4885

“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.