SCHEMBL713859

SCHEMBL713859

C=C(C)c1ccccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
CA2 P00918 1/20 0.44
ATM Q13315 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALOX12 P18054 2/20 0.32
PAX8 Q06710 1/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL7519912 0.84 ALDH1A1 (0.37) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL8676202 0.83 TDP1 (0.35) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL3472564 0.83 TDP1 (0.35) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL670251 0.81 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL13359326 0.81 CA2 (0.61) ALDH1A1TDP1TSHRCA2ATM
Hydrochloric Acid SCHEMBL10429539 0.81 TDP1 (0.34) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL14394310 0.80 LMNA (0.50) SMN1; SMN2GAALMNA
SCHEMBL12163595 0.80 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL25665105 0.80 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL16254837 0.79 TDP1 (0.42) ALDH1A1TDP1TSHRCA2ATM

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 70 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-0584826-A2 Ocular lens material Menicon Co., Ltd. (JP) 1994-03-02 EP disclosed
EP-0584764-A1 Ocular lens material Menicon Co., Ltd. (JP) 1994-03-02 EP disclosed
EP-0578087-A2 Ocular lens material Menicon Co., Ltd. (JP) 1994-01-12 EP 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-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-4629762-A ADVANCED EPOXIDES; MECHANICAL PROPERTIES 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-4277637-A TREATMENT WITH SULFONIC ACID ION EXCHANGE RESIN THE DOW CHEMICAL COMPANY (US) 1981-07-07 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 ALDH1A1 779/4885TDP1 3490/4885TSHR 2302/4885

“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.