SCHEMBL5833581

SCHEMBL5833581

OC(CCCc1ccccc1)CCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
GRIK1 P39086 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL2921490 0.96 TRPA1 (0.53) TRPA1HDAC3MAPK1ADRA1AHDAC4
Hydrochloric Acid SCHEMBL8852295 0.94 TRPA1 (0.51) TRPA1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7285852 0.92 TDP1 (0.52) TRPA1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL20019603 0.92 TDP1 (0.52) TRPA1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL19682101 0.91 TRPA1 (0.67) TRPA1TRPV1SIGMAR1MAOAMAPT
SCHEMBL19511634 0.90 TRPA1 (0.49) TRPA1ADRA1ASLC6A3SIGMAR1HTR2A
SCHEMBL7549946 0.90 TRPA1 (0.49) TRPA1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7549945 0.90 TRPA1 (0.49) TRPA1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL3652085 0.90 SIGMAR1 (0.49) TRPA1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL14402447 0.90 SIGMAR1 (0.49) TRPA1HDAC3MAPK1ADRA1AHDAC4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980620-B2 Petroleum bioconversion of organic acids to prevent refinery corrosion HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATURAL RESOURCES (CA) 2015-03-17 US disclosed
US-20120034683-A1 PETROLEUM BIOCONVERSION OF ORGANIC ACIDS TO PREVENT REFINERY CORROSION HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATURAL RESOURCES (CA) 2012-02-09 US disclosed
US-7056935-B2 Rotamase enzyme activity inhibitors GPI NIL HOLDINGS, INC. (US) 2006-06-06 US disclosed
US-6544987-B2 Pyrrolidine or piperidine sulfonyl compounds; stimulate neurite outgrowth in nerve cells leading to nerve regeneration for treatment of hair loss, memory loss or vision disorders PFIZER INC. 2003-04-08 US disclosed
EP-0662958-B1 1-(2-OXO-ACETYL)-PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES AS MULTI-DRUG-RESISTENT CANCER CELL SENSITIZERS VERTEX PHARMA (US) 2002-12-11 EP disclosed
EP-1237869-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2002-09-11 EP disclosed
US-20020061881-A1 Compounds, compositions, and methods for stimulating neuronal growth and elongation AGOURON PHARMACEUTICALS, INC. 2002-05-23 US disclosed
US-20020052410-A1 Administering to the animal suffering from neurological disorders an amide compound having an affinity for FKBP-type immunophilins GLIAMED, INC. 2002-05-02 US disclosed
US-20020042377-A1 Rotamase enzyme activity inhibitors GUILFORD PHARMACEUTICALS INC. 2002-04-11 US disclosed
EP-1117372-A2 METHOD OF TREATING HAIR LOSS USING SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2001-07-25 EP disclosed
US-5620971-A Biologically active acylated amino acid derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-04-15 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
EP-0662958-A1 1-(2-OXO-ACETYL)-PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES AS MULTI-DRUG-RESISTENT CANCER CELL SENSITIZERS VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-07-19 EP disclosed
WO-1994007858-A1 1-(2-OXO-ACETYL)-PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES AS MULTI-DRUG-RESISTENT CANCER CELL SENSITIZERS VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-04-14 WO disclosed
EP-0587756-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-23 EP disclosed
EP-0584223-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-02 EP disclosed
WO-1992021313-A2 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-12-10 WO disclosed
WO-1992019593-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-11-12 WO disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP 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-20020052410-A1 Administering to the animal suffering from neurological disorders an amide compound having an affinity for FKBP-type immunophilins FKBP14, FKBP1A, FKBP2 TRPA1 2823/4885HDAC3 1312/4885MAPK1 3247/4885
US-20020042377-A1 Rotamase enzyme activity inhibitors BDNF, FKBP1A, FKBP14 TRPA1 4650/4885HDAC3 2967/4885MAPK1 1752/4885
US-20020061881-A1 Compounds, compositions, and methods for stimulating neuronal growth and elongation NGF, GAP43, BDNF TRPA1 4663/4885HDAC3 2280/4885MAPK1 715/4885

“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.