SCHEMBL7125837

SCHEMBL7125837

CCc1cc(C=O)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 11/20 0.42
ALDH1A3 P47895 6/20 0.42
ALDH3A1 P30838 4/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PTGS2 P35354 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FDPS P14324 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER4 P35408 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AOX1 Q06278 1/20 0.37

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
SCHEMBL7120865 0.86 ALDH1A1 (0.40) CYP2A6ALDH1A1ALDH1A3ALDH3A1TSHR
SCHEMBL15659545 0.83 CYP2A6 (0.41) CYP2A6ALDH1A1ALDH1A3ALDH3A1TSHR
SCHEMBL4367756 0.83 KDM4E (0.42) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL9226581 0.83 ALDH1A3 (0.38) CYP2A6ALDH1A1ALDH1A3ALDH3A1TSHR
SCHEMBL7124340 0.83 ALDH1A1 (0.46) CYP2A6ALDH1A1ALDH1A3ALDH3A1TSHR
SCHEMBL606640 0.82 ALDH1A1 (0.45) CYP2A6ALDH1A1ALDH1A3ALDH3A1TSHR
SCHEMBL13983847 0.81 KIF11 (0.36) PTGS2
SCHEMBL2313482 0.81 TDP1 (0.42) ALDH1A1PTGS2TDP1MAPTHPGD
SCHEMBL16960723 0.81 ALOX5 (0.38) PTGS2RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL10071819 0.80 KDM4E (0.45) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346952-A1 CANNABINOID GLYCOSIDE PRODRUGS AND METHODS OF SYNTHESIS GRAPHIUM BIOSCIENCES, INC. (US) 2023-11-02 US disclosed
CN-1293079-C Process for preparing alditol acetals in high yields using mineral acids and surfactants MILLIKEN & CO (US) 2007-01-03 CN disclosed
CN-1511160-A Process for preparing alditol acetals in high yields using mineral acids and surfactants 美利肯公司 2004-07-07 CN disclosed
EP-0945452-B1 SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS NEW JAPAN CHEM CO LTD (JP) 2003-11-19 EP disclosed
CN-1101389-C Sugar compounds, gelling agents, gelling agent compositions, processes for the preparation of them and gel compositions NEW NIPPON CHEMICAL CO LTD (JP) 2003-02-12 CN disclosed
US-6500964-B2 BY REACTING SUBSTITUTED BENZALDEHYDE(S) WITH ALDITOL(S) SUCH AS SORBITOL MILLIKEN & COMPANY 2002-12-31 US disclosed
WO-2002079124-A2 METHOD OF PRODUCING HIGH YIELD ALDITOL ACETALS WITH MINERAL ACIDS AND SURFACTANTS MILLIKEN & COMPANY (US) 2002-10-10 WO disclosed
US-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants MILLIKEN & COMPANY 2002-09-26 US disclosed
US-6187842-B1 REACTING SORBITOL OR XYLITOL WITH BENZALDEHYE IN PRESENCE OF ACID CATALYST NEW JAPAN CHEMICAL CO., LTD. (JP) 2001-02-13 US disclosed
CN-1238769-A Sugar compounds, gelling agents, gelling agent compositions, processes for the preparation of them and gel compositions NEW JAPAN CHEM CO LTD (JP) 1999-12-15 CN disclosed
EP-0945452-A1 SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS NEW JAPAN CHEMICAL CO.,LTD. (JP) 1999-09-29 EP 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-20230346952-A1 CANNABINOID GLYCOSIDE PRODRUGS AND METHODS OF SYNTHESIS CNR2, CNR1, UGCG CYP2A6 73/4885ALDH1A1 3135/4885ALDH1A3 3510/4885
US-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants SORD, ALDOA, DERA CYP2A6 1393/4885ALDH1A1 1328/4885ALDH1A3 1159/4885

“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.