SCHEMBL8772689

SCHEMBL8772689

CCCCCOc1ccc(I)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.62
LTA4H P09960 5/20 0.60
TP53 P04637 2/20 0.55
TSHR P16473 1/20 0.55
PLA2G4B P0C869 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
RARB P10826 3/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL2352671 0.98 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL3096224 0.98 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9850865 0.98 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL5692767 0.98 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL27637297 0.98 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2828991 0.98 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL21551509 0.98 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2923654 0.98 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
Methane SCHEMBL4112746 0.96 NR5A1 (0.63) NR5A1LTA4HTP53TSHRPLA2G4B
Ethane SCHEMBL4117624 0.96 NR5A1 (0.63) NR5A1LTA4HTP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109796325-A A kind of preparation method of anidulafungin intermediate 南京天越星生物技术有限公司 2019-05-24 CN claimed
CN-110437846-B Fluorine substituted benzoxazole liquid crystal compound containing acetylene bond and preparation method thereof 陕西师范大学 2022-02-25 CN disclosed
CN-110483407-A N- methyl substituted benzimidazole liquid-crystal compounds containing acetylene bond and preparation method thereof UNIV SHAANXI NORMAL 2019-11-22 CN disclosed
CN-110483408-A A kind of N- methyl substituted benzimidazole side fluorine liquid-crystal compounds of big birefringence and preparation method thereof UNIV SHAANXI NORMAL 2019-11-22 CN disclosed
CN-110483435-A A kind of fluorine-containing benzoxazoles liquid-crystal compounds and its synthetic method of big birefringence UNIV SHAANXI NORMAL 2019-11-22 CN disclosed
CN-110483434-A Big birefringence side fluorine benzoxazoles liquid-crystal compounds containing acetylene bond and preparation method thereof UNIV SHAANXI NORMAL 2019-11-22 CN disclosed
CN-110437846-A Fluorine containing acetylene bond replaces benzoxazoles liquid-crystal compounds and preparation method thereof UNIV SHAANXI NORMAL 2019-11-12 CN disclosed
CN-109796325-A A kind of preparation method of anidulafungin intermediate 南京天越星生物技术有限公司 2019-05-24 CN disclosed
CN-109796325-A A kind of preparation method of anidulafungin intermediate 南京天越星生物技术有限公司 2019-05-24 CN disclosed
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 US disclosed
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO 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 (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-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 NR5A1 2069/4885LTA4H 733/4885TP53 3138/4885

“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.