SCHEMBL16218973

SCHEMBL16218973

C=Cc1cc(C)c(C)c(OC)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
AKR1B1 P15121 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL24079387 0.81 RECQL (0.40) RECQLAKR1B1KDM4EHPGDMEN1
SCHEMBL16420013 0.81 FDPS (0.36) RECQLAKR1B1KDM4EHPGDALDH1A1
SCHEMBL27960910 0.78 PDE4A (0.37) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL16218968 0.78 POLB (0.35) RECQLAKR1B1KDM4EHPGDMEN1
SCHEMBL14965876 0.78 PDE4A (0.40) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL16218974 0.72 MAOB (0.41) MEN1KMT2AALDH1A1
SCHEMBL16218965 0.71 ERN1 (0.41) RECQLKDM4EHPGDMEN1KMT2A
SCHEMBL14966381 0.71 MAPT (0.39) KDM4EHPGDKMT2AALDH1A1MAPT
SCHEMBL18212328 0.69 IMPDH2 (0.37) RECQLAKR1B1KDM4EHPGDMEN1
SCHEMBL299954 0.68 IMPDH2 (0.39) KDM4EMEN1KMT2AALDH1A1POLB

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 4 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-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-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

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 RECQL 4657/4885AKR1B1 96/4885KDM4E 805/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 RECQL 4657/4885AKR1B1 96/4885KDM4E 805/4885

“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.