SCHEMBL5598783

SCHEMBL5598783

O=C(/C=C/c1cccc(F)c1)/C=C/c1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.65
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
HSD17B3 P37058 1/20 0.61
HSD11B1 P28845 1/20 0.59
PLIN1 O60240 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
F3 P13726 1/20 0.57
RECQL P46063 1/20 0.57
PLIN5 Q00G26 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ABHD5 Q8WTS1 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
PTGS1 P23219 2/20 0.56
PTGS2 P35354 1/20 0.56
NQO2 P16083 1/20 0.55

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
SCHEMBL5598785 1.00 NFE2L2 (0.65) NFE2L2CYP1A2CYP2C9HSD17B3HSD11B1
SCHEMBL10021716 0.91 MMP1 (0.65) NFE2L2CYP1A2CYP2C9HSD17B3MAOA
SCHEMBL4554033 0.88 FOS (0.61) NFE2L2CYP1A2CYP2C9HSD17B3PLIN1
SCHEMBL4554032 0.88 FOS (0.61) NFE2L2CYP1A2CYP2C9HSD17B3PLIN1
SCHEMBL4554034 0.88 FOS (0.61) NFE2L2CYP1A2CYP2C9HSD17B3PLIN1
SCHEMBL7654865 0.86 NFE2L2 (0.63) NFE2L2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL79650 0.86 NFE2L2 (0.63) NFE2L2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL79651 0.86 NFE2L2 (0.63) NFE2L2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL30337035 0.86 NFE2L2 (0.63) NFE2L2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL27674511 0.86 NFE2L2 (0.63) NFE2L2ALDH1A1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2022-05-19 US disclosed
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE TRUJILLO KRISTINA (US) 2022-01-27 US disclosed
US-20200397676-A1 COSMETIC COMPOSITIONS AND METHODS OF USE K&K BIOTECH (US) 2020-12-24 US disclosed
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-12-10 US disclosed
US-10751330-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-25 US disclosed
US-10744124-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-18 US disclosed
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-05-14 US disclosed
EP-3275465-B1 THERAPEUTIC COMPOSITIONS COMPRISING A COMBINATION OF A HARMINE AND ISOVANILLIN COMPONENT ANKH LIFE SCIENCES LTD (IE) 2020-05-06 EP disclosed
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof ANKH LIFE SCIENCES LIMITED (IE) 2020-03-03 US disclosed
US-10471049-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof ANKH LIFE SCIENCES LIMITED (IE) 2019-11-12 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 US disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 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 (12 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-10744124-B2 Human therapeutic agents INMT, HNMT, HASPIN NFE2L2 832/4885CYP1A2 2166/4885CYP2C9 3818/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 NFE2L2 75/4885CYP1A2 2544/4885CYP2C9 3299/4885
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE NFKBIA, IKBKB, NFKB2 NFE2L2 9/4885CYP1A2 2168/4885CYP2C9 3441/4885
US-10751330-B2 Human therapeutic agents INMT, HNMT, HASPIN NFE2L2 832/4885CYP1A2 2166/4885CYP2C9 3818/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFE2L2 75/4885CYP1A2 2544/4885CYP2C9 3299/4885
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN NFE2L2 832/4885CYP1A2 2166/4885CYP2C9 3818/4885
US-10471049-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof INMT, HNMT, COMT NFE2L2 1139/4885CYP1A2 1507/4885CYP2C9 2400/4885
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN NFE2L2 832/4885CYP1A2 2166/4885CYP2C9 3818/4885
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN NFE2L2 832/4885CYP1A2 2166/4885CYP2C9 3818/4885
US-20200397676-A1 COSMETIC COMPOSITIONS AND METHODS OF USE KEAP1, NFE2L2, NQO1 NFE2L2 2/4885CYP1A2 1921/4885CYP2C9 3562/4885
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof INMT, HNMT, COMT NFE2L2 1139/4885CYP1A2 1507/4885CYP2C9 2400/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 NFE2L2 5/4885CYP1A2 760/4885CYP2C9 1867/4885

“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.