SCHEMBL2561411

SCHEMBL2561411

Cc1ccc(CC=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
PYCR1 P32322 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TNF P01375 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL31176234 1.00 SRC (0.42) SRCPYCR1RAB9ANPC1KDM4E
SCHEMBL1124970 0.83 TAAR1 (0.50) SRCRAB9ANPC1KDM4EALDH1A1
SCHEMBL4385600 0.81 TDP1 (0.48) SRCRAB9ANPC1ALDH1A1TDP1
SCHEMBL10225859 0.81 SRC (0.41) SRCKDM4EALDH1A1TDP1TAAR1
SCHEMBL2562083 0.79 P2RX7 (0.38) ALDH1A1TDP1NR3C2MEN1KMT2A
Hydrochloric Acid SCHEMBL7420110 0.79 TDP1 (0.46) SRCRAB9ANPC1ALDH1A1TDP1
SCHEMBL1505322 0.79 SRC (0.40) SRCRAB9ANPC1KDM4EALDH1A1
SCHEMBL585890 0.79 KDM4E (0.40) SRCPYCR1RAB9ANPC1KDM4E
SCHEMBL2223090 0.79 PYCR1 (0.44) PYCR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7451651 0.79 HDAC3 (0.39) TDP1TP53SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 US claimed
EP-3523414-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS Henkel AG & Co. KGaA (DE) 2019-08-14 EP claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
EP-2822682-A1 MICROCAPSULES AND USES THEREOF Firmenich SA (CH) 2015-01-14 EP claimed
WO-2013079435-A1 MICROCAPSULES AND USES THEREOF FIRMENICH SA (CH) 2013-06-06 WO claimed
US-6939845-B2 Fragrance precursors GIVAUDAN SA (CH) 2005-09-06 US claimed
EP-1167362-B1 Fragance precursors GIVAUDAN SA (CH) 2005-05-25 EP claimed
US-6492563-B2 PROVIDES NON-VOLATILE PRECURSORS FOR VOLATILE FRAGRANT ESTERS FOR USE IN DETERGENT, A FABRIC SOFTENER, A WINDOW CLEANER, A HARD SURFACE CLEANER, AN ALL PURPOSE CLEANER, A FURNITURE POLISH, A SHAMPOO, A CONDITIONER, AN HAIRSPRAY, A COSMETIC GIVAUDAN SA (CH) 2002-12-10 US claimed
US-20020077508-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-06-20 US claimed
US-20020035055-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-03-21 US claimed
EP-1167362-A1 Fragance precursors Givaudan SA (CH) 2002-01-02 EP claimed
EP-1146033-A2 Fragrance precursors Givaudan SA (CH) 2001-10-17 EP claimed
EP-4431541-B1 EMULSION-TYPE EPOXY RESIN COMPOSITION, METHOD FOR PRODUCING SAME, AND COATING MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2025-12-24 EP disclosed
US-4338467-A IN THE PRESENCE OF A COBALT CATALYST AND A NITRILE SOLVENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-06 US disclosed
EP-0034430-A1 Process for preparing arylacetaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-08-26 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 (3 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-20020077508-A1 Fragrance precursors ADH5, FAAH, CBR3 SRC 4483/4885PYCR1 807/4885RAB9A 3089/4885
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds KCNK5, KLK5, KCNA1 SRC 2745/4885PYCR1 1092/4885RAB9A 4153/4885
US-20020035055-A1 Fragrance precursors FAAH2, FDPS, CYP51A1 SRC 4563/4885PYCR1 1574/4885RAB9A 4566/4885

“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.