SCHEMBL713860

SCHEMBL713860

CC(=CC(C)(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
DEGS1 O15121 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
ESRRG P62508 1/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAPK1 P28482 1/20 0.34
ESR1 P03372 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7551195 0.84 KDM1A (0.41) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL9814341 0.84 KDM1A (0.41) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL28792582 0.84 KDM1A (0.41) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL3442786 0.80 KDM1A (0.39) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL4503311 0.80 TSHR (0.50) ALDH1A1TSHRTDP1NR4A1NR4A2
SCHEMBL3442788 0.80 KDM1A (0.39) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL4503310 0.80 TSHR (0.50) ALDH1A1TSHRTDP1NR4A1NR4A2
SCHEMBL4503313 0.80 TSHR (0.50) ALDH1A1TSHRTDP1NR4A1NR4A2
SCHEMBL10604768 0.79 CES1 (0.41) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL17616707 0.79 CES1 (0.41) KDM1ACES2CES1DEGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995493-B1 CHROMENE COMPOUND AND PHOTOCHROMIC OPTICAL ARTICLE TOKUYAMA CORP (JP) 2024-07-03 EP disclosed
CN-114051497-B Chromene compounds and photochromic optical articles 株式会社德山 2024-06-28 CN disclosed
CN-118159576-A Copolymer emulsion, and one-part thermosetting resin composition, two-part thermosetting resin composition, paint, resin cured film, and coating film using the copolymer emulsion 株式会社力森诺科 2024-06-07 CN disclosed
CN-113543753-B Method for absorbing or discharging moisture in ophthalmic medical device and ophthalmic medical device 国立大学法人东北大学 2024-04-19 CN disclosed
EP-3936091-B1 METHOD FOR ABSORBING OR DISCHARGING WATER IN OPHTHALMIC MEDICAL DEVICE AND OPHTHALMIC MEDICAL DEVICE UNIV TOHOKU (JP) 2023-07-19 EP disclosed
WO-2023085154-A1 COPOLYMER EMULSION, AND ONE-PACK TYPE THERMOSETTING RESIN COMPOSITION, TWO-PACK TYPE THERMOSETTING RESIN COMPOSITION, COATING MATERIAL, RESIN CURED FILM AND COATING FILM EACH USING SAID COPOLYMER EMULSION 株式会社レゾナック 2023-05-19 WO disclosed
EP-2657304-B1 AZO DYE, OCULAR LENS MATERIAL, METHOD FOR PRODUCING OCULAR LENS MATERIAL, AND OCULAR LENS MENICON CO LTD (JP) 2022-12-07 EP disclosed
US-20220213050-A1 CHROMENE COMPOUND AND PHOTOCHROMIC OPTICAL ARTICLE TOKUYAMA CORPORATION (JP) 2022-07-07 US disclosed
EP-3995493-A1 CHROMENE COMPOUND AND PHOTOCHROMIC OPTICAL ARTICLE Tokuyama Corporation (JP) 2022-05-11 EP disclosed
US-20220117724-A1 METHOD OF ABSORBING OR DISCHARGING WATER OF OPHTHALMIC MEDICAL DEVICE AND OPHTHALMIC MEDICAL DEVICE TOHOKU UNIVERSITY (JP) 2022-04-21 US disclosed
EP-0578087-A2 Ocular lens material Menicon Co., Ltd. (JP) 1994-01-12 EP disclosed
US-4629762-A ADVANCED EPOXIDES; MECHANICAL PROPERTIES THE DOW CHEMICAL COMPANY (US) 1986-12-16 US disclosed
US-4629763-A REACTING A MIXTURE OF A COPOLYMERIZED ALKENYLPHENOL ADDITION POLYMER AND A POLYPHENOL WITH A CYANOGEN HALIDE THE DOW CHEMICAL COMPANY (US) 1986-12-16 US disclosed
US-4629764-A EPOXIDES COMPRISING GLYCIDOL, POLYPHENOL AND COPOLYMERIZED ALKENYL PHENO ADDITION POLYMER; HIGH STRENGTH THE DOW CHEMICAL COMPANY (US) 1986-12-16 US disclosed
US-4611022-A A MIXTURE OF A POLYPHENOL COMPOUND AND A POLYMER OF AN ALKENYL PHENOL AND UNSATURATED MONOMER; POLYEPOXIDES AND-CYANURATES THE DOW CHEMICAL COMPANY (US) 1986-09-09 US disclosed
US-4559399-A CURABLE MIXTURE OF ALKENYLPHENYL CYANATE, AROMATIC POLYCYANATE ANDUNSATURATED COMPOUND; HIGH STRENGH POLYTRIAZINES THE DOW CHEMICAL COMPANY (US) 1985-12-17 US disclosed
US-4546131-A COPOLYMERS OF ETHYLENICALLY UNSATURATED COMPOUNDS AND ALKENYLPHENYL CYANATE THE DOW CHEMICAL COMPANY (US) 1985-10-08 US disclosed
US-4277637-A TREATMENT WITH SULFONIC ACID ION EXCHANGE RESIN THE DOW CHEMICAL COMPANY (US) 1981-07-07 US disclosed
US-4068676-A RELEASE AGENTS HALLIBURTON COMPANY (US) 1978-01-17 US disclosed
US-3912700-A Para-t-butyl-{60 -methylstyrene polymers CHEVRON RES 1975-10-14 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-20220213050-A1 CHROMENE COMPOUND AND PHOTOCHROMIC OPTICAL ARTICLE CRY1, CRY2, TRIP13 KDM1A 2323/4885CES2 2001/4885CES1 1766/4885

“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.