SCHEMBL1007211

SCHEMBL1007211

[O]CCCCCCCCCCC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.75
LMNA P02545 3/20 0.75
NFKB1 P19838 1/20 0.75
PMP22 Q01453 1/20 0.75
GPR84 Q9NQS5 8/20 0.60
FFAR1 O14842 2/20 0.60
FFAR4 Q5NUL3 2/20 0.60
SLC22A6 Q4U2R8 2/20 0.59
PPARG P37231 7/20 0.57
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
ALDH1A1 P00352 3/20 0.57
PTPN1 P18031 3/20 0.57
TLR2 O60603 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 2/20 0.57
FABP4 P15090 2/20 0.57
ALOX15 P16050 2/20 0.57
KMT2A Q03164 2/20 0.57

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
SCHEMBL1006545 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL7553266 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL821656 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL95166 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL95801 1.00
SCHEMBL1006395 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1006840 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1008881 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1008155 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1006815 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4844841-A Pyrenexulfonic acids useful in fluorescent lipid probes KOLLER ERNST (AT) 1989-07-04 US claimed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
EP-1945705-B1 PHOTOLATENT SYSTEMS BASF SE (DE) 2011-10-19 EP disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-7820865-B2 Photolatent systems CIBA CORPORATION (US) 2010-10-26 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090162307-A1 Photolatent Systems CIBA CORP. 2009-06-25 US disclosed
EP-1945705-A1 PHOTOLATENT SYSTEMS Ciba Holding Inc. (CH) 2008-07-23 EP disclosed
WO-2007054446-A1 PHOTOLATENT SYSTEMS CIBA HOLDING INC. (CH) 2007-05-18 WO disclosed
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4549990-A Manufacture of non-saponifiable compounds from natural substances and the resulting products SOCIETE DITE: EXSYMOL S.A.M. (MX) 1985-10-29 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 (2 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-20090162307-A1 Photolatent Systems CCNT1, CCNT2, C1S TSHR 1824/4885LMNA 1195/4885NFKB1 1609/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 TSHR 884/4885LMNA 590/4885NFKB1 2921/4885

“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.