SCHEMBL6750443

SCHEMBL6750443

COP(=O)(CC(=O)CCc1cc2ccccc2o1)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NAMPT P43490 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PSMB5 P28074 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.38

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
SCHEMBL10368235 0.82 LOXL2 (0.55) AGXTLOXL2NPC1RAB9AKDM4E
SCHEMBL6748905 0.77 CYP2A6 (0.44) AGXTLOXL2RAB9ANAMPTLMNA
SCHEMBL7248298 0.74 LOXL2 (0.53) AGXTLOXL2NPC1RAB9ASMN1; SMN2
SCHEMBL6751272 0.74 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL187684 0.73 ALOX5 (0.51) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL7140949 0.73 LOXL2 (0.56) AGXTLOXL2NPC1RAB9ASMN1; SMN2
SCHEMBL7030964 0.73 MAOB (0.50) AGXTLOXL2NPC1RAB9AKDM4E
SCHEMBL22556182 0.73 ALDH1A1 (0.47) AGXTLOXL2KDM4EHPGDALDH1A1
SCHEMBL6750445 0.72 BTN3A1 (0.33) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL8707442 0.71 MAPT (0.52) AGXTLOXL2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044045-A1 Cyclopentane heptan(ene)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents ALLERGAN, INC. 2004-03-04 US disclosed
US-6602900-B2 F-type prostaglandins as ocular hypotensives ALLERGAN, INC. 2003-08-05 US disclosed
US-20020198249-A1 Cyclopentane heptan(ENE)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents ALLERGAN SALES, INC. 2002-12-26 US disclosed
US-6310087-B2 TREATING GASTRIC OR DUODENAL ULCER, OSTEOPOROSIS, CONSTIPATION, RENAL DISORDERS, SEXUAL DYSFUNCTION, BALDNESS, DIABETES, CANCER AND DISORDER OF IMMUNE REGULATION ALLERGAN SALES, INC. 2001-10-30 US disclosed
US-20010016597-A1 Cyclopentane heptan(ene)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents ALLERGAN SALES, INC. 2001-08-23 US disclosed
EP-0825980-B1 CYCLOPENTANE HEPTAN(ENE)OIC ACID, 2-HETEROARYLAKENYL DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF OCULAR HYPERTENSION ALLERGAN SALES INC (US) 2001-07-04 EP disclosed
US-6204287-B1 TREATING VISION DEFECTS ALLERGAN SALES, INC. 2001-03-20 US disclosed
US-6037364-A ADMINISTERING OCULAR HYPOTENSIVE AGENT; TREATING CARDIOVASCULAR DISORDERS; ANTICOAGULANTS ALLERGAN SALES, INC. (US) 2000-03-14 US disclosed
US-5972991-A ADMINISTERING TO THE MAMMAL SUFFERING FROM OCULAR HYPERTENSION A F-TYPE PROSTAGLANDIN DERIVATIVE ALLERGAN (US) 1999-10-26 US disclosed
US-5834498-A OCULAR HYPOTENSIVE AGENTS ALLERGAN (US) 1998-11-10 US disclosed
EP-0825980-A1 CYCLOPENTANE HEPTAN(ENE)OIC ACID, 2-HETEROARYLAKENYL DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF OCULAR HYPERTENSION Allergan (US) 1998-03-04 EP disclosed
WO-1996036599-A1 CYCLOPENTANE HEPTAN(ENE)OIC ACID, 2-HETEROARYLALKENYL DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF OCULAR HYPERTENSION ALLERGAN (US) 1996-11-21 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 (3 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-20040044045-A1 Cyclopentane heptan(ene)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents PTGER1, PTGFR, PTGER2 AGXT 3543/4885LOXL2 584/4885NPC1 3106/4885
US-20010016597-A1 Cyclopentane heptan(ene)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents PTGER1, PTGER2, PTGFR AGXT 3091/4885LOXL2 502/4885NPC1 3691/4885
US-20020198249-A1 Cyclopentane heptan(ENE)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents PTGER1, PTGFR, PTGER2 AGXT 3533/4885LOXL2 556/4885NPC1 3121/4885

“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.