SCHEMBL4489861

SCHEMBL4489861

O=C(CCCCl)c1ccccc1CCCCCl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.40
FOLH1 Q04609 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G4A P47712 1/20 0.37
CES1 P23141 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL11706328 0.84 HTT (0.40) LMNAALDH1A1L3MBTL1TDP1MAPT
SCHEMBL27962512 0.83 HTT (0.45) LMNAALDH1A1CES1MAPT
SCHEMBL3839116 0.82 FOLH1 (0.59) SLC16A3FOLH1ALDH1A1
SCHEMBL29009406 0.81 MAPT (0.42) SLC16A3FOLH1LMNAALDH1A1MAPT
SCHEMBL9131501 0.81 LMNA (0.42) SLC16A3FOLH1LMNAALDH1A1L3MBTL1
SCHEMBL14244547 0.78 FOLH1 (0.44) SLC16A3FOLH1LMNAALDH1A1L3MBTL1
SCHEMBL27820649 0.78 LIPG (0.53) ALDH1A1MAPT
SCHEMBL3671792 0.77 CYP4F2 (0.45) LMNAALDH1A1L3MBTL1TDP1
SCHEMBL5520169 0.77 CYP19A1 (0.54) LMNAALDH1A1TDP1MAPTNPC1
SCHEMBL12816531 0.77 FOLH1 (0.61) SLC16A3FOLH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 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 (3 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-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A SLC16A3 969/4885FOLH1 3921/4885LMNA 2906/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A SLC16A3 991/4885FOLH1 4315/4885LMNA 2300/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A SLC16A3 991/4885FOLH1 4315/4885LMNA 2300/4885

“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.