SCHEMBL1750429

SCHEMBL1750429

c1ccc(-c2ccc(CNCC3CCCN3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 7/20 0.46
ADRB1 P08588 1/20 0.41
HTR5A P47898 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAN1B1 Q9UKM7 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL1162602 0.91 POLB (0.56) POLBMEN1KMT2ALTA4HMAN1B1
SCHEMBL8854588 0.91 POLB (0.56) POLBMEN1KMT2ALTA4HMAN1B1
SCHEMBL1162536 0.91 POLB (0.56) POLBMEN1KMT2ALTA4HMAN1B1
SCHEMBL2937792 0.86 POLB (0.63) POLBKMT2ALTA4HMAN1B1
SCHEMBL9469575 0.86 POLB (0.63) POLBKMT2ALTA4HMAN1B1
SCHEMBL14020488 0.83 LTA4H (0.44) LTA4HHTR5A
SCHEMBL21376981 0.83 SLC16A3 (0.36) MEN1KMT2ALTA4HADRB1HTR5A
SCHEMBL3652732 0.82 KMT2A (0.51) POLBMEN1RAB9AKMT2ALTA4H
SCHEMBL11375632 0.80 POLB (0.72) POLBLTA4H
SCHEMBL4654443 0.79 LTA4H (0.51) POLBLTA4HADRB1CHRNB2CHRNA4

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-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 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-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 POLB 1541/4885MEN1 2135/4885RAB9A 2238/4885

“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.