SCHEMBL114725

SCHEMBL114725

CCC(C)c1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
MET P08581 10/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
NR3C1 P04150 1/20 0.43

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
SCHEMBL20309118 1.00 ALDH1A1 (0.53) ALDH1A1NPC1POLBRAB9AMET
SCHEMBL29473917 1.00 ALDH1A1 (0.53) ALDH1A1NPC1POLBRAB9AMET
Methane SCHEMBL28862287 0.98 ALDH1A1 (0.51) ALDH1A1NPC1POLBRAB9AMET
Bicarbonate SCHEMBL28288596 0.92 ALDH1A1 (0.59) ALDH1A1NPC1POLBRAB9AMET
SCHEMBL18948481 0.89 ALDH1A1 (0.49) ALDH1A1NPC1POLBRAB9AMET
SCHEMBL12386875 0.88 ALDH1A1 (0.51) ALDH1A1NPC1POLBRAB9AMET
SCHEMBL20032264 0.86 ALDH1A1 (0.53) ALDH1A1NPC1POLBRAB9AMET
SCHEMBL18948483 0.85 MET (0.45) ALDH1A1NPC1POLBRAB9AMET
SCHEMBL1951478 0.84 ALDH1A1 (0.47) ALDH1A1NPC1POLBRAB9AMET
SCHEMBL5778369 0.84 ALDH1A1 (0.47) ALDH1A1NPC1POLBRAB9AMET

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 1549 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12589377-B2 Encapsulated composition comprising core-shell microcapsules and process for its preparation GIVAUDAN SA (CH) 2026-03-31 US claimed
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
EP-4655373-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2025-12-03 EP claimed
US-20250302728-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD SYMRISE AG (DE) 2025-10-02 US claimed
EP-4608360-A1 ANTI-DANDRUFF COMPOSITIONS Firmenich SA (CH) 2025-09-03 EP claimed
CN-113905612-B Arthropod control composition 弗门尼舍有限公司 2025-04-08 CN claimed
EP-4526411-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD Symrise AG (DE) 2025-03-26 EP claimed
CN-119403907-A Fragrance composition and product for delivering positive emotion 西姆莱斯有限公司 2025-02-07 CN claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
US-20160090558-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20160089462-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2015181257-A2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2015-12-03 WO claimed
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
CN-101076315-B Sterilization preparation GIVAUDAN SA 2012-03-21 CN claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-20080118591-A1 mixture contains perfume ingredients active against gramnegative bacteria; alcohols, aldehydes, ketones, imines, esters compound; low concentrations of Triclosan or other phenolic biocides; for disinfection, cleaning; liquid soaps for washing, shampoo; oral care products, mouth wash, tooth paste GIVAUDAN SA (CH) 2008-05-22 US claimed
CN-101076315-A Sterilization preparation GIVAUDAN SA (CH) 2007-11-21 CN claimed
EP-1853214-A1 BACTERICIDAL FORMULATIONS Givaudan SA (CH) 2007-11-14 EP claimed
WO-2006053458-A1 BACTERICIDAL FORMULATIONS GIVAUDAN SA (CH) 2006-05-26 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-12589377-B2 Encapsulated composition comprising core-shell microcapsules and process for its preparation CUTA, EXOC1, EXOSC10 ALDH1A1 2581/4885NPC1 3012/4885POLB 2351/4885
US-12559703-B2 Fragrance composition DHCR24, OPRD1, OR10J3 ALDH1A1 205/4885NPC1 3108/4885POLB 3087/4885

“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.