SCHEMBL6538435

SCHEMBL6538435

CCOC(=O)c1ccc(N2CCN(C3CCC(C4CCCCC4)CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.46
P2RX3 P56373 1/20 0.46
TSHR P16473 1/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ALOX15 P16050 1/20 0.44
CALCA P06881 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL6538433 1.00 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6538636 1.00 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6134915 0.93 ALDH1A1 (0.65) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6135228 0.92 ALDH1A1 (0.67) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL63474 0.92 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6369256 0.89 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL64407 0.89 ALDH1A1 (0.58) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL63892 0.89 ALDH1A1 (0.63) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6132487 0.87 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6132519 0.87 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2KMT2AMEN1

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-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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 (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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA ALDH1A1 4559/4885POLB 1304/4885SMN1; SMN2 3649/4885

“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.