SCHEMBL1069669

SCHEMBL1069669

COc1ccc(CC(C)CC=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.55
LDHA P00338 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.42
IDO1 P14902 1/20 0.42
CYP2A6 P11509 1/20 0.42
ACACB O00763 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CMA1 P23946 1/20 0.41

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
Hydrochloric Acid SCHEMBL28047839 0.98 SLC6A4 (0.53) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL28296170 0.82 SLC6A4 (0.69) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL3007047 0.79 MME (0.41) TP53TSHRACACB
SCHEMBL24897860 0.79 ACACB (0.38) SMN1; SMN2ALDH1A1TP53TSHRCYP2A6
SCHEMBL13886151 0.79 ACACB (0.38) CYP1A2TP53TSHRIDO1CYP2A6
SCHEMBL9864149 0.78 SLC6A2 (0.52) SLC6A4SMN1; SMN2TP53TSHRIDO1
SCHEMBL9900714 0.78 SLC6A4 (0.58) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL113550 0.78 SLC6A4 (0.58) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL15012373 0.78 TRPA1 (0.47) TP53TSHRHTTIDO1
SCHEMBL30290019 0.78 SLC6A4 (0.58) SLC6A4LDHACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP claimed
EP-2020225-A2 Fragrance composition Kao Corporation (JP) 2009-02-04 EP claimed
US-20050245407-A1 Fragrance composition KAO CORPORATION (JP) 2005-11-03 US claimed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 EP claimed
US-4873362-A REACTING AN ACYLOXYACETALDEHYDE WITH AN ALDEHYDE USING AN AMINE AND ACID CATALYST SYSTEM BASF AKTIENGESELLSCHAFT (DE) 1989-10-10 US claimed
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-11 US disclosed
EP-3572518-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE Takasago International Corporation (JP) 2019-11-27 EP disclosed
US-20190338216-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-11-07 US disclosed
US-7863234-B2 Liquid detergent composition KAO CORPORATION (JP) 2011-01-04 US disclosed
US-20090249557-A1 Liquid Detergent Composition KAO CORPORATION (JP) 2009-10-08 US disclosed
EP-2020225-A2 Fragrance composition Kao Corporation (JP) 2009-02-04 EP disclosed
EP-1967579-A1 LIQUID DETERGENT Kao Corporation (JP) 2008-09-10 EP disclosed
US-20050245407-A1 Fragrance composition KAO CORPORATION (JP) 2005-11-03 US disclosed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 EP disclosed
US-5021414-A Antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
US-4873362-A REACTING AN ACYLOXYACETALDEHYDE WITH AN ALDEHYDE USING AN AMINE AND ACID CATALYST SYSTEM BASF AKTIENGESELLSCHAFT (DE) 1989-10-10 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 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 (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-20190338216-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR1C3, AKR7A2 SLC6A4 4517/4885LDHA 481/4885CYP1A2 85/4885
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR7A2, FAAH2 SLC6A4 4447/4885LDHA 433/4885CYP1A2 138/4885

“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.