SCHEMBL2431902

SCHEMBL2431902

C=C(C)C(=O)Oc1cc(C)cc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TPMT P51580 1/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL19157832 0.96 ELANE (0.47) ELANEKMT2AATMMEN1LMNA
SCHEMBL15388887 0.89 ELANE (0.42) ELANEKMT2AATMMEN1LMNA
SCHEMBL15357797 0.87 ELANE (0.53) ELANEKMT2AATMMEN1LMNA
SCHEMBL969378 0.86 TPMT (0.52) ELANEKMT2AATMMEN1LMNA
SCHEMBL15836526 0.83 ELANE (0.39) ELANEKMT2AATMLMNAMAPT
SCHEMBL9575199 0.82 MEN1 (0.41) ELANEKMT2AMEN1LMNAMAPT
SCHEMBL9627001 0.82 ELANE (0.46) ELANEKMT2AATMMEN1LMNA
SCHEMBL1347701 0.81 LMNA (0.68) ELANEKMT2AATMMEN1LMNA
SCHEMBL30048439 0.81 LMNA (0.68) ELANEKMT2AATMMEN1LMNA
SCHEMBL15330105 0.81 ELANE (0.49) ELANEKMT2AATMMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322100-A Delta, epsilon-alkenyl ketone compound and preparation method and application thereof 南京工业大学 2022-11-11 CN claimed
CN-113200856-A Trifluoromethyl propylene compound and preparation method and application thereof 南京工业大学 2021-08-03 CN claimed
US-8648160-B2 Optical semiconductor sealing material IDEMITSU KOSAN CO., LTD. (JP) 2014-02-11 US claimed
CN-1164240-A Preparation of modified vinyl polymers DOW CHEMICAL CO (US) 1997-11-05 CN claimed
US-12473388-B2 Acrylic polymer NIPPON SHOKUBAI CO., LTD. (JP) 2025-11-18 US disclosed
EP-3878876-B1 ACRYLIC POLYMER NIPPON CATALYTIC CHEM IND (JP) 2024-01-10 EP disclosed
CN-117185965-A Preparation method of sulfonic acrylic acid salt compound surfactant 安徽金桐精细化学有限公司 2023-12-08 CN disclosed
CN-115490592-A Method for constructing 1, 4-diene drug molecular skeleton 南京工业大学 2022-12-20 CN disclosed
CN-115322100-A Delta, epsilon-alkenyl ketone compound and preparation method and application thereof 南京工业大学 2022-11-11 CN disclosed
CN-113200856-B Trifluoromethyl propylene compound and preparation method and application thereof 南京工业大学 2022-06-07 CN disclosed
US-20220002457-A1 Acrylic Polymer NIPPON SHOKUBAI CO., LTD. (JP) 2022-01-06 US disclosed
CN-113508146-A Acrylic acid series polymer 株式会社日本触媒 2021-10-15 CN disclosed
US-20130046087-A1 Substituted Cyclodextrin Derivatives Useful As Intermediates For Producing Biologically Active Materials ARCARIOS BV (NL) 2013-02-21 US disclosed
EP-2550299-A2 Substituted cyclodextrin derivatives and process for their preparation Arcarios B.V. (NL) 2013-01-30 EP disclosed
US-20120305982-A1 OPTICAL SEMICONDUCTOR SEALING MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2012-12-06 US disclosed
WO-2011117317-A2 SUBSTITUTED CYCLODEXTRIN DERIVATIVES USEFUL AS INTERMEDIATES FOR PRODUCING BIOLOGICALLY ACTIVE MATERIALS ARCARIOS BV (NL) 2011-09-29 WO disclosed
CN-101056900-B Optical semiconductor sealing material IDEMITSU KOSAN CO 2011-09-07 CN disclosed
US-20080097072-A1 Optical Semiconductor Sealing Material IDEMITSU KOSAN CO., LTD. (JP) 2008-04-24 US disclosed
CN-101056900-A Optical semiconductor sealing material IDEMITSU KOSAN CO (JP) 2007-10-17 CN disclosed
CN-1164240-A Preparation of modified vinyl polymers DOW CHEMICAL CO (US) 1997-11-05 CN disclosed