SCHEMBL828487

SCHEMBL828487

CC(C)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.59
DAO P14920 1/20 0.55
DDO Q99489 1/20 0.55
KDR P35968 2/20 0.51
CHEK1 O14757 1/20 0.51
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
KDM4E B2RXH2 9/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45

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 SCHEMBL22159198 0.84 BRD4 (0.54) BRD4DAODDOKDRCHEK1
SCHEMBL20621731 0.83 BRD4 (0.53) BRD4DAODDOKDRCHEK1
SCHEMBL22035463 0.82 BRD4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL8647980 0.82 DAO (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL22184893 0.79 IDH1 (0.42) DAOKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22184898 0.79 DAO (0.60) DAODDOKDM4ETSHRALDH1A1
SCHEMBL7122481 0.77 DAO (0.58) DAOIDH1
SCHEMBL5475936 0.77 KDM4E (0.48) BRD4DAODDOKDRCHEK1
SCHEMBL22016193 0.76 DAO (0.59) DAOIDH1
SCHEMBL22016192 0.76 DAO (0.59) DAOIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116807912-A Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-09-29 CN claimed
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 US claimed
CN-111432851-A Use of volatile ingredients to limit or eliminate perception of malodour 弗门尼舍有限公司 2020-07-17 CN claimed
WO-2025245391-A1 FRAGRANCE COMPOSITIONS WITH CONTROLLABLE ODOR PROFILES TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2025-11-27 WO disclosed
US-20250091984-A1 FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2025-03-20 US disclosed
EP-4504693-A1 FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2025-02-12 EP disclosed
CN-118974009-A Perfume and fragrance material 高砂香料工业株式会社 2024-11-15 CN disclosed
US-12114681-B2 Fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-10-15 US disclosed
US-11834408-B2 Compounds for the treatment of SARS PURDUE RESEARCH FOUNDATION (US) 2023-12-05 US disclosed
US-11834408-B2 Compounds for the treatment of SARS PURDUE RESEARCH FOUNDATION (US) 2023-12-05 US disclosed
CN-112638892-B Perfume materials 高砂香料工业株式会社 2023-11-21 CN disclosed
US-8044043-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20110251223-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2011-10-13 US disclosed
US-7834000-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-16 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
US-20090258866-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2009-10-15 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 WO disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
US-7196079-B2 Benzodiazepine CGRP receptor antagonists MERCK & CO, INC. (US) 2007-03-27 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 (8 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-20250091984-A1 FRAGRANCE AND FLAVOR MATERIALS TAS2R5, TAS2R8, NISCH BRD4 1297/4885DAO 3647/4885DDO 2877/4885
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GRPR BRD4 1345/4885DAO 3361/4885DDO 3107/4885
US-11834408-B2 Compounds for the treatment of SARS ACE2, SARS1, ACE BRD4 153/4885DAO 2436/4885DDO 102/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L BRD4 145/4885DAO 456/4885DDO 1967/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR BRD4 1345/4885DAO 3361/4885DDO 3107/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR BRD4 1892/4885DAO 4292/4885DDO 4190/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR BRD4 2493/4885DAO 4360/4885DDO 4302/4885
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 BRD4 4435/4885DAO 1286/4885DDO 874/4885

“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.