SCHEMBL790911

SCHEMBL790911

OCO[CH]c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 1/20 0.36
IDO1 P14902 2/20 0.35
PAM P19021 1/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 2/20 0.34
HDAC3 O15379 1/20 0.34
TNKS O95271 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 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
SCHEMBL790516 0.81 ALDH1A1 (0.46) ALDH1A1TSHRMAOBCYP2A6IDO1
SCHEMBL9798232 0.79 ALDH1A1 (0.39) ALDH1A1TSHRMAOBCYP2A6IDO1
SCHEMBL902965 0.76 MAOB (0.44) ALDH1A1MAOBIDO1PAMLMNA
SCHEMBL9217606 0.75 ALDH1A1 (0.36) ALDH1A1TSHRMAOBCYP2A6IDO1
SCHEMBL2769032 0.75 ALDH1A1 (0.36) ALDH1A1TSHRMAOBCYP2A6IDO1
SCHEMBL93706 0.75 RELA (0.47) ALDH1A1TSHRMAOBCYP2A6IDO1
SCHEMBL7054866 0.75 ALDH1A1 (0.36) ALDH1A1TSHRMAOBCYP2A6IDO1
SCHEMBL29135403 0.75 IDO1 (0.36) ALDH1A1TSHRMAOBCYP2A6IDO1
SCHEMBL3300954 0.75 ALOX15 (0.48) ALDH1A1PAMMEN1KMT2ALMNA
SCHEMBL28514854 0.74 KMT2A (0.42) ALDH1A1TSHRMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093354-A1 METHOD OF REDUCING OR PREVENTING MALODOUR UNILEVER PLC (GB) 2001-04-25 EP claimed
US-6171582-B1 TOPICALLY APPLYING TO HUMAN SKIN AN ACTIVE AGENT CAPABLE OF INACTIVATING BODY MALODOUR CAUSING MICROORGANISMS COMPRISING CORYNEBACTERIA. UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-01-09 US claimed
WO-2000001353-A1 METHOD OF REDUCING OR PREVENTING MALODOUR UNILEVER PLC (GB) 2000-01-13 WO claimed
CN-115590776-B Hair growing and thickening essence composition and preparation method and application thereof 广州禾力生物科技有限公司 2023-04-11 CN disclosed
CN-115590776-A Hair-growing and hair-thickening essence composition and preparation method and application thereof 广州禾力生物科技有限公司(CN) 2023-01-13 CN disclosed
CN-114306173-A Hair loss preventing essence and preparation method thereof 广州华厦生物制药有限公司 2022-04-12 CN disclosed
US-20200062801-A1 EPIMERIZATION-FREE N TO C SOLID-PHASE PEPTIDE SYNTHESIS WAYNE STATE UNIVERSITY (US) 2020-02-27 US disclosed
US-20130267680-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF STICHTING HET NEDERLANDS KANKERINSTITUUT 2013-10-10 US disclosed
EP-2616479-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF Stichting Het Nederlands Kanker Instituut (NL) 2013-07-24 EP disclosed
WO-2012036551-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF STICHTING HET NEDERLANDS KANKERINSTITUUT (NL) 2012-03-22 WO disclosed
US-20050244441-A1 Cosmetic compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2005-11-03 US disclosed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 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 (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-20130267680-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF UBQLN1, UBQLN2, UBE3A ALDH1A1 2827/4885TSHR 4645/4885MAOB 1301/4885
US-20200062801-A1 EPIMERIZATION-FREE N TO C SOLID-PHASE PEPTIDE SYNTHESIS NGLY1, ANPEP, NPPA ALDH1A1 4830/4885TSHR 2055/4885MAOB 4204/4885

“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.