SCHEMBL2421699

SCHEMBL2421699

CC(C)(C)C(C)(C=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
SLC6A2 P23975 1/20 0.48
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
FDPS P14324 1/20 0.38
CYP1A2 P05177 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL96457 0.78 TAAR1 (0.52) TAAR1SLC6A2LMNACYP2D6CYP2C9
SCHEMBL28416740 0.78 TAAR1 (0.52) TAAR1SLC6A2LMNACYP2D6CYP2C9
SCHEMBL12265952 0.78 SMN1; SMN2 (0.45) TAAR1SLC6A2LMNACYP2D6CYP2C9
SCHEMBL28806779 0.75 SLC6A2 (0.48) TAAR1SLC6A2LMNACYP2D6CYP2C9
SCHEMBL12913927 0.75 SLC6A2 (0.59) TAAR1SLC6A2LMNACYP2D6CYP2C9
SCHEMBL6355991 0.75 TAAR1 (0.48) TAAR1SLC6A2LMNACYP2D6CYP2C9
SCHEMBL2314314 0.75 SLC6A2 (0.48) TAAR1SLC6A2LMNACYP2D6CYP2C9
SCHEMBL10068460 0.75 SLC6A2 (0.59) TAAR1SLC6A2LMNACYP2D6CYP2C9
SCHEMBL6792841 0.73 SLC6A2 (0.47) TAAR1SLC6A2LMNACYP2D6CYP2C9
SCHEMBL28285750 0.73 TAAR1 (0.47) TAAR1SLC6A2LMNACYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280882-A1 HIGHLY CONCENTRATED FABRIC SOFTENER COMPOSITIONS AND ARTICLES CONTAINING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2003-02-05 EP claimed
WO-2001085892-A1 HIGHLY CONCENTRATED FABRIC SOFTENER COMPOSITIONS AND ARTICLES CONTAINING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-11-15 WO claimed
US-20240279146-A1 ALICYCLIC ALCOHOL, ALICYCLIC ALCOHOL COMPOSITION, AND PERFUME COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-08-22 US disclosed
EP-4357329-A1 ALICYCLIC ALCOHOL, ALICYCLIC ALCOHOL COMPOSITION, AND PERFUME COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-04-24 EP disclosed
CN-116847825-A Perfume delivery composition 塔明克私人有限公司 2023-10-03 CN disclosed
EP-3668962-A1 FRAGRANCE RELEASE COMPOSITION Symrise AG (DE) 2020-06-24 EP disclosed
EP-3661567-A1 SCENT SWITCH DEVICE Symrise AG (DE) 2020-06-10 EP disclosed
WO-2019034264-A1 FRAGRANCE RELEASE COMPOSITION SYMRISE AG (DE) 2019-02-21 WO disclosed
WO-2019025007-A1 SCENT SWITCH DEVICE SYMRISE AG (DE) 2019-02-07 WO disclosed
CN-108884424-A Container system with water soluble pouch 宝洁公司 2018-11-23 CN disclosed
EP-3096839-A1 SCENTED BODY COMPOSITIONS Maori S.C. Ltd. (IL) 2016-11-30 EP disclosed
US-5104851-A Long lasting floral or woody odors for soaps, detergents, shampoo KAO CORPORATION (JP) 1992-04-14 US disclosed
US-5086038-A Soap, cosmetics, body deodorizer, air freshner, detergent and fabric softener; white flower fragrance FIRMENICH SA (CH) 1992-02-04 US disclosed
US-4347153-A PHENOL; ALDEHYDE OR KETONE; ESTER; ALCOHOL; POLYCYCLIC COMPOUND; VEGETABLE OR SYNTHETIC OIL, EXTRACT, RESIN LEVER BROTHERS COMPANY (US) 1982-08-31 US disclosed
US-4343783-A FOR DEODORIZING SKIN OR HAIR LEVER BROTHERS COMPANY (US) 1982-08-10 US disclosed
US-4322308-A Detergent product containing deodorant compositions LEVER BROTHERS COMPANY (US) 1982-03-30 US disclosed
US-4304679-A NON-SOAP DETERGENTS LEVER BROTHERS COMPANY (US) 1981-12-08 US disclosed
US-4289641-A FOR LAUNDERING FABRICS SUBSEQUENTLY WORN IN CONTACT OF SKIN AND SWEAT GLANDS, DEODORIZING LEVER BROTHERS COMPANY (US) 1981-09-15 US disclosed
US-4288341-A SOAP CONTAINING LIBOXIDASE INHIBITOR LEVER BROTHERS COMPANY (US) 1981-09-08 US disclosed
US-4278658-A PHENOLIC COMPOUNDS, OILS, ALDEHYDES, KETONES LEVER BROTHERS COMPANY (US) 1981-07-14 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 (1 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-20240279146-A1 ALICYCLIC ALCOHOL, ALICYCLIC ALCOHOL COMPOSITION, AND PERFUME COMPOSITION ADH1A, ADH1C, ADH5 TAAR1 633/4885SLC6A2 4209/4885LMNA 386/4885

“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.