SCHEMBL7872301

SCHEMBL7872301

CCCCCCCC1OC(=O)c2ccccc21

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
MAOB P27338 8/20 0.52
MAOA P21397 6/20 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
SCHEMBL7876620 1.00 CES2 (0.61) CES2MAOBMAOA
SCHEMBL7872290 1.00 CES2 (0.61) CES2MAOBMAOA
SCHEMBL28462144 1.00 CES2 (0.61) CES2MAOBMAOA
SCHEMBL5094361 1.00 CES2 (0.61) CES2MAOBMAOA
SCHEMBL1463773 1.00 CES2 (0.61) CES2MAOBMAOA
SCHEMBL10981573 0.98 CES2 (0.58) CES2MAOBMAOA
(3S)-Butylphthalide SCHEMBL3756573 0.93 MAOB (0.53) CES2MAOBMAOA
Rac-3-N-Butylphthalide SCHEMBL22551101 0.93 MAOB (0.53) CES2MAOBMAOA
Rac-3-N-Butylphthalide SCHEMBL716879 0.93 MAOB (0.53) CES2MAOBMAOA
Rac-3-N-Butylphthalide SCHEMBL27598974 0.93 MAOB (0.53) CES2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656927-B2 Process for the synthesis of carboxylic acid derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 US claimed
US-20160272554-A1 PROCESS FOR THE SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-09-22 US claimed
WO-2015063798-A1 A PROCESS FOR THE SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-07 WO claimed
US-20150045564-A1 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-12 US claimed
WO-2013102935-A2 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-11 WO claimed
JP-2184683-A None JP disclosed
US-9656927-B2 Process for the synthesis of carboxylic acid derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 US disclosed
US-20160272554-A1 PROCESS FOR THE SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-09-22 US disclosed
WO-2015063798-A1 A PROCESS FOR THE SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-07 WO disclosed
US-20150045564-A1 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-12 US disclosed
WO-2013102935-A2 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-11 WO disclosed
US-6326006-B1 ACCELERATING BLOOD CIRCULATION, BODY WARMING AND RETENTION OF WARMTH; COMPRISES ALKYL PHTHALIDE, ALKOXY PHTHALIDE, ALKYLIDENE PHTHALIDE OR MIXTURE KAO CORPORATION (JP) 2001-12-04 US disclosed
EP-0357081-B1 Bathing preparation KAO CORP (JP) 1995-01-04 EP disclosed
JP-H02184683-A CONSCIOUSNESS LEVEL DEPRESSOR KAO CORP 1990-07-19 JP disclosed
EP-0357081-A2 Bathing preparation Kao Corporation (JP) 1990-03-07 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 (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-20160272554-A1 PROCESS FOR THE SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES PCCA, CPS1, CS CES2 163/4885MAOB 437/4885MAOA 367/4885
US-20150045564-A1 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES SOD1, AOC2, SOD3 CES2 3477/4885MAOB 442/4885MAOA 230/4885

“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.