SCHEMBL5710040

SCHEMBL5710040

CCCCCCOC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.71
CNR1 P21554 3/20 0.71
CNR2 P34972 3/20 0.71
AKR1C4 P17516 1/20 0.69
AKR1C3 P42330 1/20 0.69
AKR1C2 P52895 1/20 0.69
AKR1C1 Q04828 1/20 0.69
ALDH1A1 P00352 2/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 1/20 0.64
RAB9A P51151 1/20 0.64
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL13308500 1.00 ESR1 (0.71) ESR1CNR1CNR2AKR1C4AKR1C3
SCHEMBL6940194 0.97 ESR1 (0.71) ESR1CNR1CNR2AKR1C4AKR1C3
SCHEMBL12110051 0.97 ESR1 (0.71) ESR1CNR1CNR2AKR1C4AKR1C3
SCHEMBL14376406 0.97 ESR1 (0.71) ESR1CNR1CNR2AKR1C4AKR1C3
SCHEMBL28588245 0.97 ESR1 (0.71) ESR1CNR1CNR2AKR1C4AKR1C3
SCHEMBL20250739 0.93 CNR1 (0.72) ESR1CNR1CNR2AKR1C4AKR1C3
SCHEMBL17343170 0.92 ALDH1A1 (0.64) ESR1CNR1CNR2AKR1C4AKR1C3
SCHEMBL3777659 0.91 ESR1 (0.64) ESR1CNR1CNR2AKR1C4AKR1C3
SCHEMBL27673441 0.91 ESR1 (0.64) ESR1CNR1CNR2AKR1C4AKR1C3
SCHEMBL14099429 0.91 ESR1 (0.64) ESR1CNR1CNR2AKR1C4AKR1C3

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 44 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
CN-111272304-A Lower critical temperature indicator 苏州和萃新材料有限公司 2020-06-12 CN 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
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed
US-20030068477-A1 Transfer sheets SEIKO EPSON CORPORATION (JP) 2003-04-10 US disclosed
EP-1285773-A1 Transfer sheets SEIKO EPSON CORPORATION (JP) 2003-02-26 EP disclosed
US-20030008114-A1 Transfer image to substrate; using hot melt adhesive DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-09 US disclosed
EP-1266766-A1 Transfer sheets Daicel Chemical Industries, Ltd. (JP) 2002-12-18 EP disclosed
EP-1243434-A1 TRANSFER SHEET Daicel Chemical Industries, Ltd. (JP) 2002-09-25 EP 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 260/4885CNR1 2214/4885CNR2 3231/4885

“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.