SCHEMBL6750445

SCHEMBL6750445

COP(=O)(CC(=O)CCc1occ2ccccc12)OC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.33
POLB P06746 3/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MMP3 P08254 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
F2RL1 P55085 1/20 0.30

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
SCHEMBL31115079 0.76 MAPT (0.49) POLBLMNACYP1A2NPC1RAB9A
SCHEMBL6748902 0.75 POLB (0.33) BTN3A1POLBLMNACA12CA9
SCHEMBL7859850 0.74 KEAP1 (0.46) POLBLMNACYP1A2CYP2C19MAPT
SCHEMBL7140950 0.73 EGFR (0.41) LMNACYP1A2CYP2C19MAPT
SCHEMBL187684 0.73 ALOX5 (0.51) POLBLMNACA12CA9NPC1
SCHEMBL6748905 0.72 CYP2A6 (0.44) LMNACYP1A2RAB9A
SCHEMBL6750443 0.72 AGXT (0.41) LMNANPC1RAB9AMAPTTDP1
SCHEMBL6751272 0.71 ALDH1A1 (0.43) POLBNPC1RAB9AMAPTTDP1
SCHEMBL28242000 0.71 MAPT (0.44) LMNACYP2C19NPC1RAB9AKMT2A
SCHEMBL4413665 0.70 CYP1A2 (0.54) POLBLMNACYP1A2CYP2C19KMT2A

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 BTN3A1 3197/4885POLB 1918/4885LMNA 1206/4885
US-20010016597-A1 Cyclopentane heptan(ene)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents PTGER1, PTGER2, PTGFR BTN3A1 3012/4885POLB 1745/4885LMNA 1131/4885
US-20020198249-A1 Cyclopentane heptan(ENE)oic acid, 2-heteroarylalkenyl derivatives as therapeutic agents PTGER1, PTGFR, PTGER2 BTN3A1 3298/4885POLB 1897/4885LMNA 1263/4885

“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.