SCHEMBL14966381

SCHEMBL14966381

C=Cc1ccc(OC)c(OC)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP19A1 P11511 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 1/20 0.35
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL16218968 0.83 POLB (0.35) MAPTLMNACYP2C9ALDH1A1POLB
SCHEMBL27960910 0.79 PDE4A (0.37) MAPTLMNACYP2C9IMPDH2IMPDH1
SCHEMBL14965876 0.79 PDE4A (0.40) MAPTCYP2C9ALDH1A1KMT2ACYP1A2
SCHEMBL15820260 0.78 MAPT (0.38) MAPTLMNACYP2C9IMPDH2IMPDH1
SCHEMBL1480652 0.77 CYP1A1 (0.53) MAPTLMNACYP1A1CYP1B1ALDH1A1
SCHEMBL16957985 0.77 NPC1 (0.44) MAPTLMNACYP2C9IMPDH2IMPDH1
SCHEMBL14966387 0.75 ABCG2 (0.50) LMNACYP1A1CYP1B1ALDH1A1ABCG2
SCHEMBL9246362 0.75 CYP19A1 (0.51) CYP1A1CYP1B1CYP19A1ABCG2CYP1A2
SCHEMBL14966385 0.75 ABCG2 (0.50) LMNACYP1A1CYP1B1ALDH1A1ABCG2
SCHEMBL9238077 0.75 CYP1A1 (0.68) MAPTCYP1A1CYP1B1ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505733-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US disclosed
US-9505733-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US disclosed
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-22 US disclosed
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-22 US disclosed
US-9073887-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-9073887-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-06 US disclosed
US-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-06 US disclosed
WO-2013072830-A9 A SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-02-20 WO disclosed
WO-2013072830-A1 A SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 WO disclosed
WO-2013072830-A1 A SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 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 (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-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 MAPT 2273/4885LMNA 2962/4885CYP2C9 207/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 MAPT 2273/4885LMNA 2962/4885CYP2C9 207/4885

“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.