SCHEMBL305093

SCHEMBL305093

CC(C)(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
HMGCR P04035 4/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
HTR1D P28221 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSP90AA1 P07900 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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 SCHEMBL31414207 0.97 POLB (0.44) GABRA1GABRB2HMGCRKDM4EGAA
SCHEMBL26182160 0.88 HMGCR (0.37) GABRA1GABRB2HMGCRKDM4EGAA
SCHEMBL12257695 0.85 POLB (0.39) GABRA1GABRB2HMGCRKDM4EGAA
SCHEMBL25619247 0.84 HMGCR (0.36) GABRA1GABRB2HMGCRKDM4EGAA
SCHEMBL23919952 0.83 KDM4E (0.44) GABRA1GABRB2HMGCRKDM4EGAA
SCHEMBL17403518 0.83 GABRA1 (0.46) GABRA1GABRB2HMGCRKDM4EGAA
SCHEMBL19154841 0.83 HMGCR (0.37) GABRA1GABRB2HMGCRKDM4EGAA
SCHEMBL23920274 0.83 HMGCR (0.37) GABRA1GABRB2HMGCRKDM4EGAA
SCHEMBL23920002 0.83 HRH4 (0.40) GABRA1GABRB2HMGCRKDM4EGAA
SCHEMBL18861629 0.81 HSP90AA1 (0.43) GABRA1GABRB2HMGCRKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178603-B Preparation method of butyl rubber with low cyclic oligomer content 山东京博中聚新材料有限公司 2024-10-18 CN claimed
US-20240117115-A1 POLY(CYCLIC ACETAL)S, METHODS OF MAKING SAME, AND USES THEREOF U.S. DEPARTMENT OF ENERGY 2024-04-11 US claimed
CN-117106004-A Triterpene saponin compound and preparation method and application thereof 北京科兴中维生物技术有限公司 2023-11-24 CN claimed
CN-116478350-A Poly (isomonoolefin) copolymer and application thereof 北京石油化工学院 2023-07-25 CN claimed
WO-2023104285-A1 BORON DOPED POLYCYCLIC AROMATIC HYDROCARBON EMITTING COMPOUND (B-PAH) AND METHOD OF SYNTHESIZING B-PAH HUAWEI TECHNOLOGIES CO., LTD. (CN) 2023-06-15 WO claimed
CN-116178603-A Preparation method of butyl rubber with low cyclic oligomer content 山东京博中聚新材料有限公司 2023-05-30 CN claimed
CN-113912795-B Polyisomonoolefin copolymer, preparation method thereof, initiator and application 北京石油化工学院 2022-11-22 CN claimed
US-11476422-B2 Anthradithiophene derivatives, process for the preparation thereof and polymers that contain them ENI S.P.A. (IT) 2022-10-18 US claimed
WO-2022159777-A1 POLY(CYCLIC ACETAL)S, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY (US) 2022-07-28 WO claimed
CN-110746471-B Preparation method of fondaparinux sodium disaccharide intermediate 江苏美迪克化学品有限公司 2021-06-25 CN claimed
US-5959162-A Process for the preparation of 2-alkene-1,4-diols and 3-alkene-1,2-diols from γ,δ-epoxyalkenes EASTMAN CHEMICAL COMPANY (US) 1999-09-28 US claimed
US-5922206-A Process for treating water for removal of oil and water-soluble petroleum oil components AMCOL INTERNATIONAL CORPORATION (US) 1999-07-13 US claimed
EP-0912478-A1 PROCESS FOR THE SEPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1, 2-DIOLS FROM CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1999-05-06 EP claimed
EP-0912477-A1 PROCESS FOR THE PREPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1,2-DIOLS FROM $g(g),$g(d)-EPOXYALKENES EASTMAN CHEMICAL COMPANY (US) 1999-05-06 EP claimed
EP-0901805-A1 Process for treating water for removal of oil and water-soluble petroleum oil components AMCOL INTERNATIONAL CORPORATION (US) 1999-03-17 EP claimed
US-5856591-A USING AN EPOXYALKENE SOLVENT EASTMAN CHEM CO (US) 1999-01-05 US claimed
WO-1998002405-A9 PROCESS FOR THE SEPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1, 2-DIOLS FROM CATALYSTS 1998-06-04 WO claimed
WO-1998002404-A1 PROCESS FOR THE PREPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1,2-DIOLS FROM η,δ-EPOXYALKENES EASTMAN CHEMICAL COMPANY (US) 1998-01-22 WO claimed
WO-1998002405-A1 PROCESS FOR THE SEPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1, 2-DIOLS FROM CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1998-01-22 WO claimed
US-4830846-A SALT FORMATION AND NEUTRALIZATION THE DOW CHEMICAL COMPANY (US) 1989-05-16 US 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 (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-11476422-B2 Anthradithiophene derivatives, process for the preparation thereof and polymers that contain them OGFOD1, ALAD, OCIAD1 GABRA1 4242/4885GABRB2 4366/4885HMGCR 1115/4885
US-20240117115-A1 POLY(CYCLIC ACETAL)S, METHODS OF MAKING SAME, AND USES THEREOF CD38, ADCY1, ADCY2 GABRA1 3847/4885GABRB2 4315/4885HMGCR 4493/4885

“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.