SCHEMBL2234611

SCHEMBL2234611

CC1(c2ccccc2)OC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HTT P42858 2/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CCR2 P41597 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 2/20 0.35
AKR1C1 Q04828 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ITGA4 P13612 1/20 0.34
CHRNB2 P17787 1/20 0.34

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
SCHEMBL31354802 1.00 CRHBP (0.44) CRHBPCRHR2HTTHCAR3HCAR2
SCHEMBL18316474 1.00 CRHBP (0.44) CRHBPCRHR2HTTHCAR3HCAR2
SCHEMBL10451845 0.83 CA2 (0.36) CRHBPCRHR2HTTHCAR3HCAR2
SCHEMBL9750499 0.82 HCAR2 (0.50) HCAR2MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL8115242 0.82 HTT (0.53) HTTCYP1A2CYP3A4MAPK1MEN1
SCHEMBL8636101 0.81 HCAR2 (0.48) HTTHCAR3HCAR2MEN1KMT2A
SCHEMBL8776897 0.80 HSD11B1 (0.44) MAPK1MEN1KMT2AHSD11B1MAPT
SCHEMBL9750487 0.80 HSD11B1 (0.44) MAPK1MEN1KMT2AHSD11B1MAPT
SCHEMBL16109691 0.80 ALDH1A1 (0.41) HTTCYP1A2MEN1KMT2AALDH1A1
SCHEMBL16795871 0.80 AKR1C1 (0.41) CRHBPCRHR2HTTMEN1KMT2A

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-4526411-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD Symrise AG (DE) 2025-03-26 EP claimed
WO-2023222753-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD SYMRISE AG (DE) 2023-11-23 WO claimed
WO-2023224604-A1 FRAGRANCE COMPOSITIONS AND PRODUCTS CONVEYING A POSITIVE MOOD SYMRISE AG (DE) 2023-11-23 WO claimed
EP-3597170-B1 COMPOSITION FOR TOOTH BLEACHING G C DENTAL IND CORP (JP) 2023-04-05 EP claimed
EP-3006547-B1 FRAGRANCE-CONTAINING CAPSULE AND COSMETIC IN WHICH SAID CAPSULES ARE BLENDED SHISEIDO CO LTD (JP) 2019-10-30 EP claimed
EP-2780177-B1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORP (JP) 2016-03-23 EP claimed
EP-2529633-B1 Orally consumed preparations comprising particular sweet tasting triterpenes and triterpene glycosides SYMRISE AG (DE) 2014-08-06 EP claimed
CN-101378879-A Dry ice blasting with chemical additives AIR LIQUIDE (FR) 2009-03-04 CN claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-0023794-B1 SOLVENT COMPOSITION, METHOD OF INHIBITING THE DECOMPOSITION OF 1,1,1-TRICHLOROETHANE AND METHOD OF DEGREASING ARTICLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-09 EP claimed
EP-3749281-B1 PERFUMING COMPLEX AND COMPOSITION OF PERFUMED WATER EXPRESSIONS PARFUMEES (FR) 2024-06-26 EP disclosed
CN-117854635-A Method and system for intelligently identifying chemically unstable natural products 中国科学院上海有机化学研究所 2024-04-09 CN disclosed
CN-115678679-B Waxberry aroma compound and preparation method thereof 波顿香料股份有限公司 2024-03-19 CN disclosed
EP-4303277-A1 ANTIFOULING COATING COMPOSITION Nitto Kasei Co., Ltd. (JP) 2024-01-10 EP disclosed
CN-116981742-A Antifouling coating composition 日东化成株式会社 2023-10-31 CN disclosed
US-20110195491-A1 DEVICES AND SYSTEMS FOR BIOMARKER DETECTION BMO HARRIS BANK N.A. 2011-08-11 US disclosed
US-20110195397-A1 DRINK MIXTURE FOR THE STABILIZATION OF DIAGNOSTIC BIOMARKERS BMO HARRIS BANK N.A. 2011-08-11 US disclosed
US-20110195859-A1 SYSTEMS AND METHODS FOR THE DETECTION OF BIOMARKERS BMO HARRIS BANK N.A. 2011-08-11 US disclosed
CN-101378879-A Dry ice blasting with chemical additives AIR LIQUIDE (FR) 2009-03-04 CN disclosed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US disclosed