SCHEMBL9600264

SCHEMBL9600264

CC(C)(C)OC(=O)c1cc(I)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA1 P14867 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
CA7 P43166 3/20 0.43
AR P10275 2/20 0.42
ERN1 O75460 1/20 0.38
GABRA6 Q16445 1/20 0.37
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL21383209 0.94 EGFR (0.46) EGFRGABRG2GABRB3GABRA5GABRA1
SCHEMBL27297567 0.86 GABRG2 (0.44) EGFRGABRG2GABRB3GABRA5GABRA1
SCHEMBL31757283 0.83 GABRG2 (0.47) EGFRGABRG2GABRB3GABRA5GABRA1
SCHEMBL5619767 0.83 GABRG2 (0.47) EGFRGABRG2GABRB3GABRA5GABRA1
SCHEMBL30227090 0.82 CA12 (0.65) EGFRCA12CA1CA2CA9
SCHEMBL39335 0.82 CA12 (0.65) EGFRCA12CA1CA2CA9
SCHEMBL14344780 0.82 EGFR (0.52) EGFRCA12CA1CA2CA9
SCHEMBL31255819 0.82 AR (0.42) EGFRCA12CA1CA2CA9
SCHEMBL27006190 0.82 AR (0.42) EGFRCA12CA1CA2CA9
SCHEMBL6351877 0.81 GABRG2 (0.43) EGFRGABRG2GABRB3GABRA5GABRA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111902390-B Compound, composition, cured product, optically anisotropic body, and reflective film 富士胶片株式会社 2023-08-04 CN disclosed
US-11454752-B2 Optical element, method for forming photo-alignment pattern, and method for manufacturing optical element FUJIFILM CORPORATION (JP) 2022-09-27 US disclosed
US-11390812-B2 Compound, composition, cured object, optically anisotropic body, and reflective film FUJIFILM CORPORATION (JP) 2022-07-19 US disclosed
US-20210002556-A1 COMPOUND, COMPOSITION, CURED OBJECT, OPTICALLY ANISOTROPIC BODY, AND REFLECTIVE FILM FUJIFILM CORPORATION (JP) 2021-01-07 US disclosed
CN-111902390-A Compound, composition, cured product, optically anisotropic body, and reflective film 富士胶片株式会社 2020-11-06 CN disclosed
WO-2020022496-A1 OPTICAL ELEMENT, METHOD FOR FORMING PHOTO-ALIGNMENT PATTERN, AND METHOD FOR MANUFACTURING OPTICAL ELEMENT 富士フイルム株式会社 2020-01-30 WO disclosed
WO-2019182129-A1 COMPOUND, COMPOSITION, CURED ARTICLE, OPTICALLY ANISOTROPIC BODY, AND REFLECTIVE FILM 富士フイルム株式会社 2019-09-26 WO disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 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 (2 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-11390812-B2 Compound, composition, cured object, optically anisotropic body, and reflective film MKI67, RB1, FLNA EGFR 3425/4885GABRG2 3874/4885GABRB3 4112/4885
US-20210002556-A1 COMPOUND, COMPOSITION, CURED OBJECT, OPTICALLY ANISOTROPIC BODY, AND REFLECTIVE FILM MKI67, RB1, FLNA EGFR 3425/4885GABRG2 3874/4885GABRB3 4112/4885

“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.