SCHEMBL6538482

SCHEMBL6538482

CCC[CH]c1ccccc1OCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MCHR1 Q99705 2/20 0.43
TLR8 Q9NR97 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 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
SCHEMBL6538942 0.93 MEN1 (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL6538963 0.91 CYP1A2 (0.49) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL6756008 0.89 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL9173228 0.88 CYP1A2 (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL6539287 0.87 CYP1A2 (0.52) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL11723352 0.83 ALDH1A1 (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL677596 0.82 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL2924589 0.82 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL677288 0.82 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL5609734 0.82 NFE2L2 (0.48) MEN1LMNAMAPTKMT2ACYP1A2

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 MEN1 2457/4885NR1I2 1365/4885LMNA 3615/4885

“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.