SCHEMBL711308

SCHEMBL711308

C=C(C(=O)O)C(=S)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
CTBP2 P56545 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.41
GAA P10253 2/20 0.41
PAM P19021 2/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL6723396 0.83 CES1 (0.58) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL2456063 0.79 CES1 (0.54) CES1CES2AKR1B1CTBP2MEN1
Phenylpyruvate SCHEMBL9557730 0.76 CES1 (0.61) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL9618267 0.76 ALDH1A1 (0.41) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL3268826 0.75 CES1 (0.54) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL2210068 0.74 CYP2C19 (0.60) KMT2ACYP3A4CYP2C9ALDH1A1GAA
SCHEMBL41907 0.74 CES1 (0.58) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL27564061 0.72 CES1 (0.56) CES1CES2AKR1B1CTBP2MEN1
Bromide SCHEMBL11497452 0.72 CES1 (0.56) CES1CES2AKR1B1CTBP2MEN1
Hydrochloric Acid SCHEMBL27862997 0.72 CES1 (0.56) CES1CES2AKR1B1CTBP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624048-B2 Photochromic cyclic compound and curable composition containing the photochromic cyclic compound TOKUYAMA CORPORATION (JP) 2026-05-12 US disclosed
WO-2025070122-A1 PHOTOCHROMIC COMPOSITION, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2025-04-03 WO disclosed
WO-2025057814-A1 PHOTOCHROMIC COMPOSITION, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2025-03-20 WO disclosed
WO-2025041625-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2025-02-27 WO disclosed
WO-2025041624-A1 PHOTOCHROMIC COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2025-02-27 WO disclosed
WO-2025028365-A1 PHOTOCHROMIC COMPOUND, PHENOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASS 株式会社トクヤマ 2025-02-06 WO disclosed
WO-2024202086-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASS 株式会社トクヤマ 2024-10-03 WO disclosed
WO-2024202087-A1 PHOTOCHROMIC COMPOUND, PROPARGYL ALCOHOL COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND SPECTACLES 株式会社トクヤマ 2024-10-03 WO disclosed
US-20230280500-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC CURABLE COMPOSITION, CURED BODY, LENS AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2023-09-07 US disclosed
WO-2023140186-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-27 WO disclosed
US-20040094753-A1 Chromene compound TOKUYAMA CORPORATION (JP) 2004-05-20 US disclosed
EP-1394156-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2004-03-03 EP disclosed
US-6365707-B1 CATALYTIC POLYEPOXIDES OR POLYTHIOEPOXIDES AND AMINO COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2002-04-02 US disclosed
EP-0778276-B1 Photochromic chromene derivatives TOKUYAMA CORP (JP) 2001-05-09 EP disclosed
EP-1058133-A2 Polymerizable composition and process for producing optical resin comprising the same Mitsui Chemicals, Inc. (JP) 2000-12-06 EP disclosed
EP-0696582-B1 Polycyclic spirophthalimide derivatives, process for their preparation and their use as fulgimides TOKUYAMA CORP (JP) 2000-03-22 EP disclosed
US-5808100-A DURABILITY TOKUYAMA CORPORATION (JP) 1998-09-15 US disclosed
EP-0778276-A1 Photochromic chromene derivatives TOKUYAMA CORPORATION (JP) 1997-06-11 EP disclosed
US-5631382-A PHOTOCHROMIC LENSES TOKUYAMA CORPORATION (JP) 1997-05-20 US disclosed
EP-0696582-A1 Polycyclic spirophthalimide derivatives, process for their preparation and their use as fulgimides TOKUYAMA CORPORATION (JP) 1996-02-14 EP 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-12624048-B2 Photochromic cyclic compound and curable composition containing the photochromic cyclic compound CCNL2, CRY2, CRY1 CES1 4399/4885CES2 3088/4885AKR1B1 1255/4885

“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.