SCHEMBL65723

SCHEMBL65723

O=Cc1cc(F)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.56
NFE2L2 Q16236 5/20 0.54
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PTPN1 P18031 1/20 0.43
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
Methylene Chloride SCHEMBL28191198 0.91 ERN1 (0.48) ERN1NFE2L2CES2CES1KDM4E
SCHEMBL3430702 0.86 NFE2L2 (0.52) ERN1NFE2L2CES2CES1KDM4E
SCHEMBL4363014 0.82 ERN1 (0.46) ERN1NFE2L2CES2CES1KDM4E
SCHEMBL29957006 0.82 ERN1 (0.46) ERN1NFE2L2CES2CES1KDM4E
SCHEMBL28217646 0.82 NFE2L2 (0.44) ERN1NFE2L2KDM4EALDH1A1
SCHEMBL7553407 0.80 NFE2L2 (0.46) ERN1NFE2L2ALDH1A1
SCHEMBL29824365 0.80 NFE2L2 (0.54) ERN1NFE2L2CES2CES1KDM4E
Water SCHEMBL28915146 0.80 ERN1 (0.45) ERN1NFE2L2CES2CES1KDM4E
SCHEMBL96915 0.80 NFE2L2 (0.54) ERN1NFE2L2CES2CES1KDM4E
SCHEMBL5252638 0.79 NFE2L2 (0.58) ERN1NFE2L2CES2CES1ALDH1A1

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 1686 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-118879789-A Method for preparing 2, 5-difluoro cinnamaldehyde by using benzaldehyde lyase 浙江工业大学 2024-11-01 CN claimed
CN-118496215-A Polyhydroxylated onium derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-08-16 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-221287823-U Difluorobenzaldehyde ethylene glycol fine chemical production line 江苏广域化学有限公司 2024-07-09 CN claimed
CN-117624148-A Polyhydroxy sulfonium salt derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-03-01 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-113321800-B Application of selective laser sintering by taking polyether-ether-ketone prepared from tetramethyl guanidine tetrafluoroborate as raw material 江汉大学 2023-05-23 CN claimed
US-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics SEQUELLA, INC. 2005-05-26 US claimed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 WO claimed
WO-2005034857-A2 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS SEQUELLA, INC. (US) 2005-04-21 WO claimed
US-20040132807-A1 Aurones as telomerase inhibitors PHARMACIA ITALIA SPA (IT) 2004-07-08 US claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
EP-1381359-A1 AURONES AS TELOMERASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-21 EP claimed
WO-2002083123-A1 AURONES AS TELOMERASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-10-24 WO claimed
US-20020146633-A1 FLUORINATED AROMATIC ACETAL POLYMERS AND PHOTOSENSITIVE COMPOSITIONS CONTAINING SUCH POLYMERS KODAK POLYCHROME GRAPHICS L.L.C. 2002-10-10 US claimed
US-6458503-B1 BLEND WITH DIAZO RESIN; LITHOGRAPHIC PRINTING PLATES; PHOTOPOLYMERIZATION AND CROSSLINKING KODAK POLYCHROME GRAPHICS LLC 2002-10-01 US claimed
WO-2002073315-A1 FLUORINATED AROMATIC ACETAL POLYMERS AND PHOTOSENSITIVE COMPOSITIONS CONTAINING SUCH POLYMERS KODAK POLYCHROME GRAPHICS COMPANY, LTD. (US) 2002-09-19 WO claimed

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-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics C5, DDC, SAT1 ERN1 927/4885NFE2L2 3853/4885CES2 3578/4885
US-20040132807-A1 Aurones as telomerase inhibitors TERT, TERF2, TERF2IP ERN1 572/4885NFE2L2 2212/4885CES2 4303/4885

“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.