P-Cymene

P-Cymene

SCHEMBL3851539

CS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.Cc1ccc(C(C)C)cc1.[Ru]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.40
NFE2L2 Q16236 4/20 0.40
CNR2 P34972 4/20 0.40
LMNA P02545 3/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
P-Cymene SCHEMBL3854468 1.00 KEAP1 (0.40) KEAP1NFE2L2CNR2LMNABCHE
P-Cymene SCHEMBL7519316 0.99 KEAP1 (0.40) KEAP1NFE2L2CNR2LMNABCHE
P-Cymene SCHEMBL29471131 0.95 CNR2 (0.39) KEAP1NFE2L2CNR2LMNABCHE
P-Xylene SCHEMBL5417991 0.93 LMNA (0.40) KEAP1NFE2L2LMNAALDH1A1NPSR1
P-Xylene SCHEMBL5422594 0.93 LMNA (0.40) KEAP1NFE2L2LMNAALDH1A1NPSR1
Toluene SCHEMBL5421679 0.90 DPP4 (0.39) KEAP1NFE2L2LMNAACHEALDH1A1
Toluene SCHEMBL5430970 0.90 DPP4 (0.39) KEAP1NFE2L2LMNAACHEALDH1A1
Benzene SCHEMBL4859438 0.87 DPP4 (0.45) KEAP1CNR2LMNAALDH1A1NPSR1
Benzene SCHEMBL4865907 0.87 DPP4 (0.45) KEAP1CNR2LMNAALDH1A1NPSR1
P-Cymene SCHEMBL2240125 0.87 ALDH1A1 (0.50) CNR2LMNABCHEACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2868659-B1 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-04 EP disclosed
US-9181217-B2 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-11-10 US disclosed
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-04 US disclosed
EP-2868659-A1 Method for producing optically active naphthalene compound Mitsubishi Tanabe Pharma Corporation (JP) 2015-05-06 EP disclosed
EP-2749558-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-07-02 EP disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-7268250-B2 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2007-09-11 US disclosed
EP-1308435-B1 Process for producing optically active amino alcohols KANTO KAGAKU (JP) 2005-12-28 EP disclosed
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 2005-05-12 US disclosed
EP-1512678-A1 Process for preparing optically active nitro compounds and cyano compounds Kanto Kagaku Kabushiki Kaisha (JP) 2005-03-09 EP disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 US disclosed
US-6696573-B1 SYNTHESIS OF SUCH AS 2-(N-(2-(9H-CARBAZOL-2-YLOXY)ETHYL))-AMINO-1-((3 -METHYLSULFONYLAMINO)PHENYL)ETHANOL WITH ENHANCED OPTICAL PURITY ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-02-24 US disclosed
US-6686505-B2 HYDROGENATION OF NITRO KETONE OR CYANO KETONE IN PRESENCE OF TRANSITION METAL COMPOUND CATALYST; AMINATION KANTO KAGUKU KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-11 US disclosed
EP-1308435-A2 Process for producing optically active amino alcohols Kanto Kagaku Kabushiki Kaisha (JP) 2003-05-07 EP disclosed
EP-1174426-A1 METHOD FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES THROUGH AZIDES Asahi Kasei Kabushiki Kaisha (JP) 2002-01-23 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 (4 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-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore ADH1A, NOS1, ADH5 KEAP1 2083/4885NFE2L2 945/4885CNR2 2238/4885
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND HRH1, HRH4, RB1 KEAP1 232/4885NFE2L2 1607/4885CNR2 742/4885
US-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX KEAP1 3270/4885NFE2L2 1441/4885CNR2 4073/4885
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds NOS1, NOS2, NOX1 KEAP1 60/4885NFE2L2 40/4885CNR2 3043/4885

“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.