SCHEMBL173244

SCHEMBL173244

CC(C)(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.46
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.35
HRH4 Q9H3N8 2/20 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
SCHEMBL26022486 0.88 HSP90AA1 (0.41) HMGCRHSD17B10KDM4E
SCHEMBL12257766 0.85 KDM4E (0.39) HMGCRHSD17B10KDM4EHRH4
SCHEMBL19051434 0.83 HSD17B10 (0.42) HMGCRHSD17B10KDM4EHRH4
SCHEMBL6181050 0.83 HMGCR (0.37) HMGCRHSD17B10KDM4E
SCHEMBL26020405 0.83 HMGCR (0.37) HMGCRHSD17B10KDM4E
SCHEMBL13807433 0.83 HMGCR (0.37) HMGCRHSD17B10KDM4E
SCHEMBL7255653 0.83 HMGCR (0.37) HMGCRHSD17B10KDM4EHRH4
SCHEMBL13812332 0.79 HMGCR (0.49) HMGCRHSD17B10KDM4E
SCHEMBL16259689 0.79 HMGCR (0.42) HMGCRHSD17B10
SCHEMBL21341304 0.79 HSD17B10 (0.40) HMGCRHSD17B10KDM4EHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930484-A Synthesis method for stereoselectively constructing cis-or trans-benzohydrogenated isoquinoline 兰州大学 2024-11-12 CN claimed
CN-115232177-B Chemical synthesis method of shigella dysenteriae 10 type O-antigen oligosaccharide 江南大学 2024-07-30 CN claimed
CN-118184718-A Aspergillus fumigatus furan galactomannan-oligosaccharide derivative and preparation method and application thereof 山东大学 2024-06-14 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-114604848-B Nitrogen-rich graphdiyne and preparation method thereof 武汉工程大学 2023-03-21 CN claimed
CN-115232177-A Chemical synthesis method of shigella dysenteriae type 10O-antigen oligosaccharide 江南大学 2022-10-25 CN claimed
WO-2022182415-A1 HIMASTATIN DERIVATIVES, AND PROCESSES OF PREPARATION THEREOF, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-09-01 WO claimed
WO-2022159777-A1 POLY(CYCLIC ACETAL)S, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY (US) 2022-07-28 WO claimed
CN-114478659-B Preparation method of disaccharide compound 启德医药科技(苏州)有限公司 2022-07-15 CN claimed
CN-114604848-A Nitrogen-rich graphdiyne and preparation method thereof 武汉工程大学 2022-06-10 CN claimed
US-9422325-B2 Glycosylation reactions using phenyl(trifluoroethyl)iodonium salts TRUSTEES OF TUFTS COLLEGE (US) 2016-08-23 US claimed
US-20150099870-A1 Glycosylation Reactions Using Phenyl(trifluoroethyl)iodonium Salts TRUSTEES OF TUFTS COLLEGE 2015-04-09 US claimed
US-8257493-B2 Photonic crystal, conjugated polymers suitable for photonic crystal, and a method for synthesizing conjugated polymers THE UNIVERSITY OF AKRON (US) 2012-09-04 US claimed
US-20080130111-A1 Photonic Crystal, Conjugated Polymers Suitable for Photonic Crystal, and a Method for Synthesizing Conjugated Polymers AKRON, UNIVERSITY OF 2008-06-05 US claimed
WO-2006131616-A1 NEW TYPE OF MOLECULAR JUNCTION BETWEEN A SEMICONDUCTOR AND A METAL MICHELET DANIEL (FR) 2006-12-14 WO claimed
US-6960654-B2 Method of forming glycosidic bonds from thioglycosides using an N,N-dialkylsulfinamide THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-11-01 US claimed
US-6930187-B2 Method of preparation of 21-amino epothilone derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-16 US claimed
US-20040019198-A1 Method of forming glycosidic bonds from thioglycosides using an N,N-dialkylsulfinamide CRICH DAVID C (US) 2004-01-29 US claimed
US-20030187039-A1 Method of preparation of 21-amino epothilone derivatives INVENSYS SYSTEMS, INC. 2003-10-02 US claimed
WO-2003070170-A2 METHOD OF PREPARATION OF 21-AMINO EPOTHILONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-28 WO 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 (4 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-20150099870-A1 Glycosylation Reactions Using Phenyl(trifluoroethyl)iodonium Salts UGGT1, OGA, GPI HMGCR 3559/4885HSD17B10 2056/4885KDM4E 2745/4885
US-20030187039-A1 Method of preparation of 21-amino epothilone derivatives DHPS, CYP17A1, HSD17B7 HMGCR 273/4885HSD17B10 122/4885KDM4E 2278/4885
US-20240117115-A1 POLY(CYCLIC ACETAL)S, METHODS OF MAKING SAME, AND USES THEREOF CD38, ADCY1, ADCY2 HMGCR 4493/4885HSD17B10 2197/4885KDM4E 1085/4885
US-20040019198-A1 Method of forming glycosidic bonds from thioglycosides using an N,N-dialkylsulfinamide DDOST, STT3B, STT3A HMGCR 4137/4885HSD17B10 3081/4885KDM4E 4592/4885

“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.