SCHEMBL3102154

SCHEMBL3102154

CCCC(C)(Oc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.64
PPARG P37231 6/20 0.64
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
FABP2 P12104 2/20 0.56
SLC22A12 Q96S37 1/20 0.56
ABCB11 O95342 2/20 0.53
TSHR P16473 2/20 0.53
HTR2A P28223 2/20 0.53
PMP22 Q01453 2/20 0.53
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52

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
SCHEMBL27849569 0.87 PPARA (0.64) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL3500736 0.87 PPARA (0.68) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL11548438 0.87 ADORA3 (0.48) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL5531801 0.85 ADORA3 (0.47) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL8935937 0.85 PPARG (0.53) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL82055 0.85 PPARG (0.53) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL2560059 0.84 L3MBTL1 (0.50) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL4852302 0.84 PPARA (0.49) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL16753083 0.84 ADORA3 (0.46) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL2557598 0.81 ADORA3 (0.44) PPARAPPARGCYP1A2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807138-B2 Biomarkers of metabolic responses to hepatic drugs METABOLON, INC. (US) 2010-10-05 US disclosed
US-20080213745-A1 Biomarkers Of Metabolic Responses To Hepatotoxicants And Carcinogens METABOLON, INC. 2008-09-04 US disclosed
US-20080176266-A1 Biomarkers Of Metabolic Responses To Hepatotoxicants And Carcinogens METABOLON, INC. 2008-07-24 US disclosed
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof VRX HOLDCO LLC 2008-03-06 US disclosed
EP-1173165-A4 CARDIOVASCULAR AND BONE TREATMENT USING ISOFLAVONES NOVOGEN RES PTY LTD (AU) 2004-05-12 EP disclosed
US-20040072765-A1 Cardiovascular and bone treatment using isoflavones NOVOGEN RESEARCH PTY LTD. 2004-04-15 US disclosed
EP-1173165-A1 CARDIOVASCULAR AND BONE TREATMENT USING ISOFLAVONES Novogen Research Pty. Ltd. (AU) 2002-01-23 EP disclosed
WO-2000064438-A1 CARDIOVASCULAR AND BONE TREATMENT USING ISOFLAVONES NOVOGEN RESEARCH PTY LTD (AU) 2000-11-02 WO disclosed
EP-0261439-B1 MEDICAMENT FOR CURING ARTERIOSCLEROSIS, COMPRISING PYRIMIDO (2,1-B) BENZOTHIAZOLE DERIVATIVE MECT CORPORATION (JP) 1991-09-04 EP disclosed
EP-0261439-A2 Medicament for curing arteriosclerosis, comprising pyrimido (2,1-b) benzothiazole derivative MECT CORPORATION (JP) 1988-03-30 EP disclosed
US-4318923-A HYPOLIPEMIC AGENT KAKEN CHEMICAL CO., LTD. (JP) 1982-03-09 US disclosed
US-4278678-A ANTILIPEMIC AGENTS KAKEN CHEMICAL CO., LTD. (JP) 1981-07-14 US disclosed
US-4153724-A Benzoyl phenoxy acetic acid derivatives KAKEN CHEMICAL CO., LTD. (JP) 1979-05-08 US disclosed
US-4119633-A HYPOLIPEMIC, HYPOCHOLESTRIC AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1978-10-10 US disclosed
US-4082913-A ANTI-ATHEROSCLEROSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-04-04 US disclosed
US-3995061-A AN ASCOCHLORIN DERIVATIVE USED IN THE TREATMENT OF ARTERIOSCLEROSIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 US disclosed
US-3985790-A ANTILIPEMIC AND ANTICHOLESTEREMIC AGENTS LUDWIG MERCKLE KG (DT) 1976-10-12 US disclosed
US-3984413-A ANTILIPEMIC, ANTICHOLESTEROLEMIC; PERIPHERAL AND VASOLIDATIVE EFFECT L. MERCKLE KG (DT) 1976-10-05 US disclosed
US-3979405-A HYPOLIPEMIC AND HYPOCHOLESTERIC AGENTS GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1976-09-07 US disclosed
US-3970694-A ANTICHOLESTEROL SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-20 US 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-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof PTGIR, PTGDR, NR3C1 PPARA 358/4885PPARG 65/4885CYP1A2 1167/4885

“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.