Sugi Predict

Sugi Predict / Compounds / SCHEMBL3661643

SCHEMBL3661643

SCHEMBL3661643

CCC(=O)c1cccc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.54
▸ KMT2A Q03164 3/20 0.52
▸ POLB P06746 3/20 0.52
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ TP53 P04637 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HMGCR P04035 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NFE2L2 Q16236 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CNR2 P34972 1/20 0.47

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
Hydrochloric Acid SCHEMBL27759786 0.98 HPGD (0.52) HPGDKMT2APOLBRAB9ANPC1
Aziridine SCHEMBL28207516 0.92 HPGD (0.48) HPGDKMT2APOLBRAB9ANPC1
Pyridine SCHEMBL28207517 0.89 POLB (0.52) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL6223780 0.86 HPGD (0.51) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL5617204 0.86 HPGD (0.54) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL27655331 0.85 HPGD (0.47) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL27543099 0.85 HTT (0.51) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL8544356 0.84 HPGD (0.56) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL1850967 0.84 HPGDS (0.55) HPGDKMT2APOLBRAB9ANPC1
SCHEMBL6717832 0.84 PDE4D (0.56) KMT2ARAB9ANPC1SMN1; SMN2HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104861216-B A kind of preparation method of ultraviolet light 3D printing hydrogel matrix 武汉纺织大学 2017-03-15 — — CN claimed
CN-101500996-B (3-amino-1,2,3,4-tetrahydro-9h-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICALS LTD 2012-07-04 — — CN claimed
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 — — US disclosed
CN-111742005-B Fluoroelastomer curable compositions 索尔维特殊聚合物意大利有限公司 2023-01-20 — — CN disclosed
CN-111742005-A Fluoroelastomer curable compositions 索尔维特殊聚合物意大利有限公司 2020-10-02 — — CN disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 — — CN disclosed
CN-105593308-B Polymer composition and the driving liquid crystal of transverse electric field indicate element liquid crystal orientation film 日产化学工业株式会社 2019-07-19 — — CN disclosed
CN-108690254-A A kind of anti-aging gas pipeline and preparation method thereof 余文冰 2018-10-23 — — CN disclosed
CN-107840840-A A kind of synthesis of berberine important intermediate 西南民族大学 2018-03-27 — — CN disclosed
CN-105555780-B SYK inhibitors 吉利德科学公司 2018-01-23 — — CN disclosed
CN-105164125-B 2-phenyl or 2-heteroaryl imidazo [1,2-a ] pyridine derivatives 豪夫迈·罗氏有限公司 2017-10-13 — — CN disclosed
WO-2006016197-A1 ZEOLITE BASED CATALYTIC PROCESS FOR PREPARATION OF ACYLATED AROMATIC ETHERS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-02-16 — — WO disclosed
US-6969778-B2 DDQ mediated one step dimerization of β-asarone or β-asarone rich Acorus calamus oil in the formation of novel neolignan COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-11-29 — — US disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 — — CN disclosed
EP-1487770-A1 FORMATION OF NEOLIGNAN BY DDQ MEDIATED DIMERISATION OF DIHYDROASARONE Council of Scientific and Industrial Research;an Indian Reg. body incorporated under Reg. of Societies Act (Act XXI of 1860) (IN) 2004-12-22 — — EP disclosed
US-20040049085-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2004-03-11 — — US disclosed
US-20030187306-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-10-02 — — US disclosed
WO-2003080551-A1 FORMATION OF NEOLIGNAN BY DDQ MEDIATED DIMERISATION OF DIHYDROASARONE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-02 — — WO disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 — — CN disclosed
US-5106722-A Photoiniators having cyclopentadieneyl or indenyl groups and fluorinated aryl or heterocyclic ring; photoresists of unsaturated compounds CIBA-GEIGY CORPORATION (US) 1992-04-21 — — 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 (2 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-20040049085-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan DHPS, PTGES, PTGIS HPGD 10/4885KMT2A 2954/4885POLB 347/4885
US-20030187306-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan DHPS, PTGES, PTGIS HPGD 10/4885KMT2A 2954/4885POLB 347/4885

“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.