SCHEMBL6748905

SCHEMBL6748905

COP(=O)(CC(=O)CCc1cc2ccccc2s1)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.44
AGXT P21549 1/20 0.41
ADRB2 P07550 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
NAMPT P43490 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 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
SCHEMBL12809334 0.78 RPS6KB2 (0.56) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL6750443 0.77 AGXT (0.41) AGXTLOXL2NAMPTTAS1R3TAS1R1
SCHEMBL4510014 0.74 CYP2A6 (0.58) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL6750366 0.74 POLB (0.43) LMNAGAARAB9A
SCHEMBL187684 0.73 ALOX5 (0.51) HDAC2HDAC8HDAC6ALOX5LMNA
SCHEMBL9743497 0.73 CYP4F2 (0.49) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL6748902 0.73 POLB (0.33) CYP1A2LMNAGAA
SCHEMBL126901 0.72 LOXL2 (0.44) LOXL2HDAC1HDAC8HDAC6CYP1A2
SCHEMBL6750445 0.72 BTN3A1 (0.33) CYP1A2LMNARAB9A
SCHEMBL7991033 0.70 FFAR1 (0.36)

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 CYP2A6 103/4885AGXT 3543/4885ADRB2 27/4885
US-20010016597-A1 Cyclopentane heptan(ene)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents PTGER1, PTGER2, PTGFR CYP2A6 217/4885AGXT 3091/4885ADRB2 30/4885
US-20020198249-A1 Cyclopentane heptan(ENE)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents PTGER1, PTGFR, PTGER2 CYP2A6 105/4885AGXT 3533/4885ADRB2 28/4885

“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.