Sugi Predict

Sugi Predict / Compounds / Butane

Butane

Butane

SCHEMBL3883260

CCCC.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ PCSK9 Q8NBP7 1/20 0.38
▸ PSIP1 O75475 1/20 0.35
▸ LMNA P02545 3/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 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
Butane SCHEMBL2218261 1.00 TP53 (0.41) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL27467536 0.97 TP53 (0.39) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL4314183 0.97 TP53 (0.39) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL28273422 0.97 TP53 (0.39) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL7978404 0.95 TP53 (0.38) TP53PCSK9PSIP1LMNACA12
Propane SCHEMBL1423596 0.91 TP53 (0.43) TP53PCSK9PSIP1LMNACA12
Propane SCHEMBL372201 0.91 TP53 (0.43) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL3685210 0.90 TP53 (0.35) TP53PCSK9PSIP1
Butane SCHEMBL3766698 0.90 TP53 (0.35) TP53PCSK9PSIP1
Butane SCHEMBL27915563 0.90 TP53 (0.35) TP53PCSK9PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327007-A VT107 preparation method 上海陶术生物科技有限公司 2024-01-02 — — CN claimed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 — — US claimed
CN-112047802-B Polysubstituted ethylene compound, preparation method and application thereof 中国科学院上海有机化学研究所 2022-07-19 — — CN claimed
CN-114196008-A Compound and preparation method and application thereof 深圳真瑞生物科技有限公司 2022-03-18 — — CN claimed
CN-113354500-A Method for preparing 1, 5-diene derivative 中国科学院大连化学物理研究所 2021-09-07 — — CN claimed
CN-106995461-B A kind of Phosphine ligands of the structure containing benzofuran and its preparation method and application 中山大学 2019-11-08 — — CN claimed
CN-110423217-A A kind of preparation method of conjugated enynes compound UNIV DALIAN TECH 2019-11-08 — — CN claimed
CN-110359097-A The method that On-DNA aromatic compound is obtained by Suzuki coupling reaction in the building of DNA encoding compound library 上海药明康德新药开发有限公司 2019-10-22 — — CN claimed
CN-110331447-A The method of On-DNA aryl acetylene hydrocarbon compound is prepared in the building of DNA encoding compound library 上海药明康德新药开发有限公司 2019-10-15 — — CN claimed
CN-110272357-A A kind of preparation method of alkenyl cyanides 中国科学院上海有机化学研究所 2019-09-24 — — CN claimed
CN-108727179-A A kind of alpha, beta-unsaturated ketone of α-allyl substitution, the synthetic method of ester or nitrile compound 信阳师范学院 2018-11-02 — — CN claimed
CN-108623495-A A kind of preparation method of aromatic nitriles or miscellaneous aromatic nitrile compounds 中国科学院上海有机化学研究所 2018-10-09 — — CN claimed
CN-108516994-A Containing bis- (sulphur ethyl) thioether [NiFe] the hydrogenation catalator objects of biphosphine ligand and bridging trithio ligand and synthetic method 南开大学 2018-09-11 — — CN claimed
CN-108383777-A The synthetic method of difluoromethyl pyridine derivate 河南师范大学 2018-08-10 — — CN claimed
CN-108148026-A A kind of method that catalytic carbonylation prepares 2,5- furandicarboxylic acids 华中科技大学 2018-06-12 — — CN claimed
US-20070010691-A1 Enantioselective synthesis of enantiomerically enriched compounds CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2007-01-11 — — US claimed
EP-1644311-A2 ENANTIOSELECTIVE SYNTHESIS OF ENANTIOMERICALLY ENRICHED COMPOUNDS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2006-04-12 — — EP claimed
EP-1272500-B1 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2005-05-04 — — EP claimed
WO-2005005356-A2 ENANTIOSELECTIVE SYNTHESIS OF ENANTIOMERICALLY ENRICHED COMPOUNDS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2005-01-20 — — WO claimed
EP-0627399-B1 Process for producing 2-formyl-1,4-butanediol KURARAY CO (JP) 1997-03-19 — — EP 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 (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-20070010691-A1 Enantioselective synthesis of enantiomerically enriched compounds CYP8B1, SRD5A2, CYP11B2 TP53 3908/4885PCSK9 3786/4885PSIP1 2474/4885

“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.