SCHEMBL1850

SCHEMBL1850

CC(=O)CC(C)(C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ME2 P23368 2/20 0.45
ME1 P48163 2/20 0.45
ME3 Q16798 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL57411 0.84 CYP2C19 (0.69) CYP2C19HIF1ATAAR1ALDH1A1HTT
SCHEMBL13898354 0.83 CYP2C19 (0.52) CYP2C19HIF1ATAAR1ALDH1A1HTT
Hydrochloric Acid SCHEMBL29090142 0.83 CYP2C19 (0.67) CYP2C19HIF1ATAAR1ALDH1A1HTT
SCHEMBL31276440 0.83 CYP1A2 (0.47) HIF1AALDH1A1HTTMAPTKMT2A
SCHEMBL7739108 0.83 CYP2C19 (0.61) CYP2C19HIF1ATAAR1ALDH1A1HTT
SCHEMBL28330062 0.82 TAAR1 (0.54) CYP2C19HIF1ATAAR1ALDH1A1HTT
SCHEMBL2813766 0.81 MAPT (0.55) CYP2C19HIF1ATAAR1ALDH1A1HTT
SCHEMBL3535049 0.81 CYP2C19 (0.53) CYP2C19HIF1ATAAR1ALDH1A1HTT
SCHEMBL3703335 0.81 CYP2C19 (0.53) CYP2C19HIF1ATAAR1ALDH1A1HTT
Hydrochloric Acid SCHEMBL22345946 0.81 CYP2C19 (0.64) CYP2C19HIF1ATAAR1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240173227-A1 A FRAGRANCE MIXTURE CONTAINING ISOCITRONELLOL SYMRISE AG (DE) 2024-05-30 US claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
US-11603506-B2 Product comprising a plastic container and a substance composition SYMRISE AG (DE) 2023-03-14 US claimed
US-20190225396-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2019-07-25 US claimed
EP-3507352-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION Symrise AG (DE) 2019-07-10 EP claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
WO-2018041354-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2018-03-08 WO claimed
EP-4136067-B1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR AND COMPANY LTD (IN) 2026-04-15 EP disclosed
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS SYMRISE AG (DE) 2026-04-09 US disclosed
US-12545852-B2 Odorants and compositions comprising odorants S H KELKAR AND COMPANY LIMITED (IN) 2026-02-10 US disclosed
EP-3697878-B1 USE OF ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR AND COMPANY LTD (IN) 2026-01-28 EP disclosed
US-12534685-B2 Fragrance composition SYMRISE AG (DE) 2026-01-27 US disclosed
US-12522780-B2 Odorants and compositions comprising odorants S H KELKAR AND COMPANY LIMITED (IN) 2026-01-13 US disclosed
US-5401848-A Indane and quinoline derivatives E. R. SQUIBB & SONS, INC. (US) 1995-03-28 US disclosed
EP-0610553-A1 Aminocarbonyl (thiocarbonyl) and cyanoguanidine derivatives of quinoline and indoline E.R. SQUIBB & SONS, INC. (US) 1994-08-17 EP disclosed
EP-0488616-A1 Indane and quinoline derivatives E.R. SQUIBB & SONS, INC. (US) 1992-06-03 EP disclosed
EP-0206442-B1 PREPARATION OF INDENES THE STANDARD OIL COMPANY (US) 1989-04-05 EP disclosed
EP-0206442-A1 Preparation of indenes THE STANDARD OIL COMPANY (US) 1986-12-30 EP disclosed
US-4568782-A CATALYTIC CYCLODEHYDRATION OF 3-PHENYLPROPIONALDEHYDES OR 3/PHENYLPROPYLEKETONES THE STANDARD OIL COMPANY (US) 1986-02-04 US disclosed
US-4009253-A 4-CYCLOHEXYL-4-METHYL-2-PENTANONE USEFUL AS A MALODOR COUNTERACTANT MONSANTO COMPANY (US) 1977-02-22 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 (4 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-12534685-B2 Fragrance composition NCLN, HCN2, TRPA1 CYP2C19 741/4885HIF1A 4110/4885TAAR1 988/4885
US-12545852-B2 Odorants and compositions comprising odorants ENY2, CDY1; CDY1B, CHRM5 CYP2C19 3682/4885HIF1A 943/4885TAAR1 1031/4885
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS PTGS2, PTGES2, PTGS1 CYP2C19 743/4885HIF1A 180/4885TAAR1 832/4885
US-20240173227-A1 A FRAGRANCE MIXTURE CONTAINING ISOCITRONELLOL IPO5, OR51E2, FDFT1 CYP2C19 791/4885HIF1A 1479/4885TAAR1 2545/4885

“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.