SCHEMBL6694720

SCHEMBL6694720

CC(C)CCNCCCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 3/20 0.33
CA2 P00918 4/20 0.32
CA1 P00915 3/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC29A1 Q99808 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
F13A1 P00488 1/20 0.31

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
SCHEMBL6696123 0.98 ALDH1A1 (0.36) ALDH1A1TSHRHTTATMNPSR1
SCHEMBL4311915 0.93 SLC29A1 (0.33) ALDH1A1TSHRHTTATMNPSR1
SCHEMBL10703373 0.88 LMNA (0.39) ALDH1A1TSHRHTTATMNPSR1
SCHEMBL14829804 0.85 TSHR (0.43) ALDH1A1TSHRCYP2C19CYP1A2LMNA
SCHEMBL10045158 0.85 CYP2C19 (0.48) ALDH1A1TSHRCYP2C19CYP1A2LMNA
SCHEMBL10045163 0.85 CYP2C19 (0.48) ALDH1A1TSHRCYP2C19CYP1A2LMNA
SCHEMBL13740992 0.84 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP1A2LMNA
SCHEMBL438190 0.82
SCHEMBL10045165 0.82 CYP2C19 (0.46) ALDH1A1TSHRCYP2C19CYP1A2LMNA
Hydrochloric Acid SCHEMBL602920 0.82 LMNA (0.37) ALDH1A1TSHRHTTATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004533516-A 2004-11-04 JP claimed
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US claimed
EP-1397468-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY Total France (FR) 2004-03-17 EP claimed
WO-2002097014-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY TOTAL FRANCE (FR) 2002-12-05 WO claimed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US disclosed
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
EP-1397468-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY Total France (FR) 2004-03-17 EP disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
WO-2002097014-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY TOTAL FRANCE (FR) 2002-12-05 WO disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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 (2 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH ALDH1A1 1309/4885TSHR 580/4885HTT 2515/4885
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 ALDH1A1 1707/4885TSHR 3563/4885HTT 331/4885

“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.