SCHEMBL1883301

SCHEMBL1883301

COC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
TACR1 P25103 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41

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
SCHEMBL1883304 1.00 KMT2A (0.55) KMT2ATACR1CYP2C19CYP1A2HSD17B10
SCHEMBL14385070 0.87 KMT2A (0.43) KMT2ATACR1CYP2C19CYP1A2HSD17B10
SCHEMBL4799364 0.84 SRC (0.48) KMT2ATACR1CYP2C19CYP1A2HSD17B10
SCHEMBL762079 0.84 SRC (0.48) KMT2ATACR1CYP2C19CYP1A2HSD17B10
SCHEMBL14278787 0.84 SRC (0.48) KMT2ATACR1CYP2C19CYP1A2HSD17B10
SCHEMBL22511875 0.82 KMT2A (0.58) KMT2ACYP1A2HSD17B10MEN1TSHR
SCHEMBL9024661 0.81 KMT2A (0.49) KMT2ACYP2C19HSD17B10SMN1; SMN2TSHR
SCHEMBL1883313 0.80 CTSK (0.50) KMT2A
SCHEMBL11040399 0.79 KMT2A (0.58) KMT2ACYP2C19CYP1A2HSD17B10MEN1
SCHEMBL12880100 0.79 KMT2A (0.58) KMT2ACYP2C19CYP1A2HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935841-B2 Bisphospholanes for use as catalysts in asymmetric reactions DR. REDDY'S LABORATORIES LIMITED (IN) 2011-05-03 US disclosed
US-20090099358-A1 BISPHOSPHOLANES FOR USE AS CATALYSTS IN ASYMMETRIC REACTIONS JACKSON PHILIP M 2009-04-16 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 (1 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-20090099358-A1 BISPHOSPHOLANES FOR USE AS CATALYSTS IN ASYMMETRIC REACTIONS BPGM, PFKFB3, PFKFB4 KMT2A 3857/4885TACR1 563/4885CYP2C19 1141/4885

“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.