SCHEMBL585592

SCHEMBL585592

O=Cc1cc(F)cc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.61
CES2 O00748 6/20 0.48
CES1 P23141 6/20 0.48
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
RIPK1 Q13546 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL295466 0.79 ERN1 (0.43) ERN1CES2CES1CA1CA2
SCHEMBL3725574 0.78 ERN1 (0.44) ERN1CES2CES1CA1CA2
SCHEMBL24014278 0.76 ERN1 (0.57) ERN1CES2CES1KDM4EALDH1A1
SCHEMBL3066902 0.76 ERN1 (0.47) ERN1CES2CES1
SCHEMBL12450080 0.76 ERN1 (0.52) ERN1KDM4EALDH1A1
SCHEMBL20088346 0.76 ERN1 (0.57) ERN1CES2CES1KDM4EALDH1A1
SCHEMBL332788 0.76 ERN1 (0.47) ERN1CES2CES1KDM4EALDH1A1
SCHEMBL21949881 0.76 ERN1 (0.38) ERN1CES2CES1
SCHEMBL20798249 0.76 ERN1 (0.52) ERN1
SCHEMBL767476 0.76 ERN1 (0.47) ERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143598-B High-entropy carbon quantum dot nanomaterial and preparation method and application thereof 中南大学 2024-11-08 CN claimed
CN-118459420-A Thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118459422-A Thiazole thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118085334-A High-tensile swelling-resistant polyvinyl alcohol-based hydrogel and preparation method and application thereof 国科广化(南雄)新材料研究院有限公司 2024-05-28 CN claimed
CN-117143598-A High-entropy carbon quantum dot nanomaterial and preparation method and application thereof 中南大学 2023-12-01 CN claimed
CN-115092909-B High-concentration fluorine-doped carbon dot and preparation method thereof 中南大学 2023-06-09 CN claimed
CN-115092909-A High-concentration fluorine-doped carbon dot and preparation method thereof 中南大学 2022-09-23 CN claimed
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS SCHERING CORPORATION 2011-09-29 US claimed
CN-101754960-A tetrahydropyranochromene gamma-secretase inhibitors SCHERING CORP 2010-06-23 CN claimed
WO-2009008980-A2 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2009-01-15 WO claimed
EP-4741389-A1 KAT6 INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2026-05-13 EP disclosed
US-20260062406-A1 Benzisoxazole Sulfonamide Derivatives PFIZER (US) 2026-03-05 US disclosed
EP-4299135-B1 BENZISOXAZOLE SULFONAMIDE DERIVATIVES PFIZER (US) 2025-08-06 EP disclosed
US-12371425-B2 Benzisoxazole sulfonamide derivatives PFIZER INC. (US) 2025-07-29 US disclosed
US-12338241-B2 Bicyclic sulfones and sulfoxides and methods of use thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 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 (5 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-12371425-B2 Benzisoxazole sulfonamide derivatives BRIX1, RB1, BCR ERN1 1914/4885CES2 2887/4885CES1 1555/4885
US-12338241-B2 Bicyclic sulfones and sulfoxides and methods of use thereof RB1, CCNE2, RPS3A ERN1 2346/4885CES2 3471/4885CES1 2941/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A ERN1 4527/4885CES2 366/4885CES1 1255/4885
US-20260062406-A1 Benzisoxazole Sulfonamide Derivatives KAT8, KAT5, KAT7 ERN1 2844/4885CES2 1880/4885CES1 1649/4885
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, APP ERN1 1941/4885CES2 656/4885CES1 108/4885

“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.