SCHEMBL1006607

SCHEMBL1006607

Cc1ccc(C)c(CCCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
GAA P10253 2/20 0.46
F13A1 P00488 3/20 0.46
FFAR1 O14842 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL6207760 0.95 TSHR (0.57) TSHRNPSR1KMT2AMEN1TAAR1
SCHEMBL10110930 0.93 F13A1 (0.56) TSHRNPSR1KMT2AMEN1TAAR1
SCHEMBL29636581 0.89 NPSR1 (0.68) TSHRNPSR1KMT2AMEN1TAAR1
SCHEMBL3670598 0.89 NPSR1 (0.68) TSHRNPSR1KMT2AMEN1TAAR1
SCHEMBL1454248 0.87 TSHR (0.56) TSHRNPSR1KMT2AMEN1PTGER1
SCHEMBL6847212 0.86 TAAR1 (0.52) TSHRNPSR1KMT2AMEN1TAAR1
SCHEMBL6207355 0.84 F13A1 (0.53) TSHRNPSR1KMT2AMEN1GAA
SCHEMBL341990 0.83 NPSR1 (0.50) TSHRNPSR1F13A1FFAR1SMN1; SMN2
Phosphonic Acid SCHEMBL28146347 0.83 NPSR1 (0.59) TSHRNPSR1KMT2AMEN1TAAR1
SCHEMBL3925297 0.83 F13A1 (0.56) TSHRNPSR1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426273-B1 SUBLINGUAL COMPOSITIONS COMPRISING NATURAL EXTRACTS AND USES THEREOF HARMONIC PHARMA (FR) 2021-04-21 EP disclosed
EP-3638203-A1 COSMETIC COMPOSITIONS COMPRISING NATURAL EXTRACTS AND USES THEREOF Harmonic Pharma (FR) 2020-04-22 EP disclosed
US-20190117555-A1 SUBLINGUAL COMPOSITIONS COMPRISING NATURAL EXTRACTS AND USES THEREOF HARMONIC PHARMA (FR) 2019-04-25 US disclosed
EP-3426273-A1 SUBLINGUAL COMPOSITIONS COMPRISING NATURAL EXTRACTS AND USES THEREOF Harmonic Pharma (FR) 2019-01-16 EP disclosed
WO-2017153555-A1 SUBLINGUAL COMPOSITIONS COMPRISING NATURAL EXTRACTS AND USES THEREOF HARMONIC PHARMA (FR) 2017-09-14 WO disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5891737-A ORTHOGONALLY PROTECTED TRIFUNCTIONAL SCAFFOLDS FOR SOLID PHASE SYNTHESIS OF PEPTIDOMIMETIC COMBINATORIAL LIBRARY ZYMOGENETICS, INC. (US) 1999-04-06 US disclosed
US-5646285-A ORTHOGONALLY PROTECTED COMPOUNDS ZYMOGENETICS, INC. (US) 1997-07-08 US disclosed
WO-1996040732-A1 COMBINATORIAL NON-PEPTIDE LIBRARIES ZYMOGENETICS, INC. (US) 1996-12-19 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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 TSHR 4546/4885NPSR1 2102/4885KMT2A 4362/4885
US-20190117555-A1 SUBLINGUAL COMPOSITIONS COMPRISING NATURAL EXTRACTS AND USES THEREOF SHBG, GYS1, PYGM TSHR 1756/4885NPSR1 1202/4885KMT2A 2740/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 TSHR 884/4885NPSR1 3055/4885KMT2A 2586/4885

“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.