SCHEMBL6539339

SCHEMBL6539339

[c]1ccccc1OCCCCCCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.59
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC2 Q92769 3/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ LTA4H P09960 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HTR1B P28222 1/20 0.43

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
SCHEMBL6539543 0.98 KCNA3 (0.61) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL2455319 0.94 KCNA3 (0.56) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL2451127 0.92 KCNA3 (0.52) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL7862622 0.86 DRD2 (0.47) KCNA3DRD2DRD4DRD3ALDH1A1
SCHEMBL5540903 0.82 NAAA (0.44) DRD2DRD4DRD3
SCHEMBL5256662 0.82 NAAA (0.44) DRD2DRD4DRD3
SCHEMBL6951988 0.82 NAAA (0.44) DRD2DRD4DRD3
SCHEMBL6238419 0.82 JAK2 (0.33) KCNA3TAAR1ALDH1A1RECQL
SCHEMBL339719 0.81 LTA4H (0.44) HDAC6LTA4HDRD2DRD3ALDH1A1
SCHEMBL4353344 0.81 KCNA3 (0.34) KCNA3HDAC1HDAC2HDAC3HDAC4

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 KCNA3 2839/4885HDAC1 1974/4885HDAC2 3488/4885

“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.

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