SCHEMBL18049795

SCHEMBL18049795

O=C(O)Cc1ccccc1-c1csc2ccsc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.42
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGER1 P34995 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ BCAT2 O15382 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ CXCL8 P10145 4/20 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
SCHEMBL18049822 0.83 KDM4E (0.36) HPGD
SCHEMBL4053314 0.79 TDP1 (0.47) AKR1B1KEAP1NFE2L2TDP1CYP2C9
SCHEMBL18049772 0.77 PTGER1 (0.43) AKR1B1KEAP1NFE2L2TDP1PTGER1
SCHEMBL7827157 0.77 AKR1B1 (0.67) AKR1B1TDP1PTGER1PTGER4PTGER3
SCHEMBL18049789 0.76 HSD17B10 (0.42) KEAP1NFE2L2TDP1HPGD
SCHEMBL18049807 0.72 GPR35 (0.44) AKR1B1KEAP1NFE2L2TDP1PTGER1
SCHEMBL30726783 0.72 GPR35 (0.44) AKR1B1KEAP1NFE2L2TDP1PTGER1
SCHEMBL4048685 0.70 LTA4H (0.54) AKR1B1TDP1PTGER1PTGER4PTGER3
Biphenyl SCHEMBL11146899 0.70 AKR1B1 (0.57) AKR1B1TDP1PTGER1PTGER4PTGER3
SCHEMBL28753686 0.69 TDP1 (0.55) AKR1B1TDP1PTGS2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268375-B1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL INC (US) 2022-06-15 — — EP disclosed
CN-107406459-B Photochromic thienobenzopyran compounds 光学转变公司 2021-06-08 — — CN disclosed
US-20180051037-A1 Photochromic Thienochromene Compounds TRANSITIONS OPTICAL, INC. 2018-02-22 — — US disclosed
EP-3268375-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS Transitions Optical, Inc. (US) 2018-01-17 — — EP disclosed
CN-107406459-A Photochromic thiophene and benzopyran compounds 光学转变公司 2017-11-28 — — CN disclosed
WO-2016144324-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2016-09-15 — — WO 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-20180051037-A1 Photochromic Thienochromene Compounds CRY1, CRY2, TERT AKR1B1 658/4885KEAP1 15/4885NFE2L2 295/4885

“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.

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