SCHEMBL2002222

SCHEMBL2002222

C1COC(CCC2CCCO2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 3/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10923372 0.94 KMT2A (0.41) EPHX1ALDH1A1TSHRLMNAPOLB
Propane SCHEMBL28454658 0.92 EPHX1 (0.48) EPHX1ALDH1A1TSHRLMNAPOLB
SCHEMBL9746734 0.92 ALDH1A1 (0.38) EPHX1ALDH1A1TSHRLMNAPOLB
SCHEMBL8151949 0.91 EPHX1 (0.41) EPHX1ALDH1A1TSHRLMNAPOLB
SCHEMBL6450396 0.88 EPHX1 (0.50) EPHX1ALDH1A1TSHRLMNAPOLB
SCHEMBL27454583 0.87 LMNA (0.40) EPHX1ALDH1A1TSHRLMNAPOLB
SCHEMBL13294283 0.86 EPHX1 (0.60) EPHX1ALDH1A1TSHRLMNAPOLB
SCHEMBL1680639 0.86
SCHEMBL22142957 0.86
SCHEMBL3684347 0.86 EPHX1 (0.60) EPHX1ALDH1A1TSHRLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018701-A Method for preparing decanediol dicarboxylate and derivatives thereof 中国科学技术大学 2020-04-17 CN claimed
US-9546238-B2 Method for producing hydrogenated conjugated diene copolymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-01-17 US claimed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US claimed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP claimed
US-8372165-B1 Diesel and jet fuel compositions containing the oxygenated compound 1,2-(ditetrahydrofuryl)ethane derived from renewable furfural SECK KARL A (US) 2013-02-12 US claimed
EP-2531487-A1 ARYL BENZYLAMINE COMPOUNDS Novartis AG (CH) 2012-12-12 EP claimed
WO-2011095452-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-11 WO claimed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US claimed
CN-119505090-A Conjugated diene-styrene copolymer, preparation method and application thereof, antibacterial polymer material and application thereof 山东星顺新材料有限公司 2025-02-25 CN disclosed
CN-114466872-B Ziegler Natta catalyst for olefin polymerization 北欧化工公司 2024-01-30 CN disclosed
CN-111018701-B Method for preparing decanediol dicarboxylate and derivatives thereof 中国科学技术大学 2022-05-17 CN disclosed
US-10766972-B2 Modified conjugated diene-based polymer and method for producing the same, and modified conjugated diene-based polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-09-08 US disclosed
CN-111018701-A Method for preparing decanediol dicarboxylate and derivatives thereof 中国科学技术大学 2020-04-17 CN disclosed
US-10414841-B2 Modified conjugated diene-based polymer, method for preparing the same and rubber composition including the same LG CHEM, LTD. (KR) 2019-09-17 US disclosed
EP-2338919-A1 MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PRODUCING THE SAME, MODIFIED CONJUGATED DIENE POLYMER COMPOSITION, AND TIRE Asahi Kasei Chemicals Corporation (JP) 2011-06-29 EP disclosed
US-7342070-B2 Conjugated diolefin (co)polymer rubber, process for producing (co)polymer rubber, rubber composition, composite, and tire JSR CORPORATION (JP) 2008-03-11 US disclosed
US-20040254301-A1 Conjugated diolefin (co)polymer rubber, process for producing (co)polymer rubber, rubber composition, composite, and tire JSR CORPORATION (JP) 2004-12-16 US disclosed
US-6306976-B1 LITHIUM DETACHED RESIDUE OF LITHIUM CONTAINING ORGANIC POLYMER USED AS CATALYSTS IN PRODUCTION OF CONJUGATED DIENE-AROMATIC VINYL POLYMERS JAPAN ELASTOMER CO., LTD. (JP) 2001-10-23 US disclosed
US-5349024-A Endcapping a living polymer for tires BRIDGESTONE/FIRESTONE, INC. (US) 1994-09-20 US disclosed
US-5346962-A Tire treadstock; polybutadiene or butadiene-styrene copolymer BRIDGESTONE/FIRESTONE, INC. (US) 1994-09-13 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 (1 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-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 EPHX1 2367/4885ALDH1A1 1115/4885TSHR 1964/4885

“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.