SCHEMBL872650

SCHEMBL872650

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 4/20 0.36
CES2 O00748 4/20 0.36
CES1 P23141 3/20 0.36
DAO P14920 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
TP53 P04637 1/20 0.35
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL872649 1.00 ALDH1A1 (0.45) ALDH1A1MAPK1TDP1LMNAMAPT
SCHEMBL891321 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1TDP1LMNAMAPT
SCHEMBL10205515 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1TDP1LMNAMAPT
SCHEMBL891322 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1TDP1LMNAMAPT
SCHEMBL19792666 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1LMNAMAPT
Benzene SCHEMBL28264641 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1LMNAMAPT
SCHEMBL950633 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1LMNAMAPT
SCHEMBL262669 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1LMNAMAPT
SCHEMBL9519378 0.77 NQO2 (0.57) ALDH1A1MAPTCES2CES1NQO2
SCHEMBL9519397 0.77 NQO2 (0.57) ALDH1A1MAPTCES2CES1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260096574-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-04-09 US claimed
US-20260013536-A1 FLAVOR COMPOSITION AND FOOD OR BEVERAGE TAKASAGO INTERNATIONAL CORPORATION (JP) 2026-01-15 US claimed
US-20260007144-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-01-08 US claimed
US-20250280857-A1 DEGRADATION-RESISTANT ALDEHYDE-CONTAINING COMPOSITIONS ZOOMESSENCE INC (US) 2025-09-11 US claimed
EP-4606226-A2 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. (US) 2025-08-27 EP claimed
EP-4578292-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. (US) 2025-07-02 EP claimed
US-20250176599-A1 FLAVOR COMPOSITION AND FOOD AND BEVERAGE TAKASAGO INTERNATIONAL CORPORATION (JP) 2025-06-05 US claimed
EP-4563008-A1 FRAGRANCE COMPOSITION AND FOOD OR BEVERAGE Takasago International Corporation (JP) 2025-06-04 EP claimed
CN-119655345-A Coffee replica made from a single component 航行食品股份有限公司 2025-03-21 CN claimed
CN-119584869-A Perfume composition and food and beverage 高砂香料工业株式会社 2025-03-07 CN claimed
EP-2150133-A2 PRESERVATIVE DSM IP Assets B.V. (NL) 2010-02-10 EP claimed
EP-1937289-A4 COMPOSITIONS AND METHODS COMPRISING PANAX SPECIES HERBALSCIENCE SINGAPORE PTE LTD (US) 2009-07-29 EP claimed
WO-2008149102-A2 PRESERVATIVE DSM FOOD SPECIALITIES B.V. (NL) 2008-12-11 WO claimed
CN-101312650-A Compositions and methods comprising panax species HERBALSCIENCE SINGAPORE PTE LTD (US) 2008-11-26 CN claimed
EP-1937289-A2 COMPOSITIONS AND METHODS COMPRISING PANAX SPECIES Herbalscience Singapore Pte. Ltd. (US) 2008-07-02 EP claimed
WO-2007035723-A2 COMPOSITIONS AND METHODS COMPRISING PANAX SPECIES HERBALSCIENCE SINGAPORE PTE. LTD. (US) 2007-03-29 WO claimed
US-20070065526-A1 Methods and compositions comprising Panax species HERBALSCIENCE SINGAPORE PTE. LTD (SG) 2007-03-22 US claimed
EP-1705171-A1 Improved aromachemicals Flexitral, Inc. (US) 2006-09-27 EP claimed
US-4093752-A FOODSTUFFS, CHEWING GUM, TOOTHPASTE, MEDICINES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-06 US claimed
US-3958029-A Novel flavoring compositions and products comprising 2,5-dimethyl-3-thioisovaleryl furan INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-05-18 US 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 (3 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-20260007144-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS HAAO, PTGES2, PTGES ALDH1A1 74/4885MAPK1 3871/4885TDP1 2866/4885
US-20260096574-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS HAAO, HTR6, SCD ALDH1A1 492/4885MAPK1 4258/4885TDP1 4331/4885
US-20260013536-A1 FLAVOR COMPOSITION AND FOOD OR BEVERAGE EBP, FABP7, FABP2 ALDH1A1 1344/4885MAPK1 3288/4885TDP1 4776/4885

“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.