SCHEMBL4131700

SCHEMBL4131700

CCCCC(CC)[S+]([O-])C(CC)CCCC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CA2 P00918 8/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.34
CA1 P00915 3/20 0.33
FDPS P14324 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
SCHEMBL24532390 0.93 CA2 (0.33) ALDH1A1TDP1CA2DNM1TSHR
SCHEMBL7104457 0.92 OPRM1 (0.39) CA2DNM1TSHRCA1FDPS
SCHEMBL6662072 0.90 LMNA (0.39) ALDH1A1CA2DNM1TSHRFDPS
SCHEMBL779887 0.83 CYP3A4 (0.31) TSHRCYP3A4
SCHEMBL4362883 0.82 DNM1 (0.46) ALDH1A1CA2DNM1TSHRFDPS
SCHEMBL11449395 0.81 LMNA (0.47) ALDH1A1CA2TSHRCYP3A4FDPS
SCHEMBL779882 0.76
SCHEMBL18716706 0.75 DNM1 (0.33) ALDH1A1TDP1CA2DNM1CA1
SCHEMBL28226870 0.74 DNM1 (0.36) ALDH1A1TDP1CA2DNM1TSHR
SCHEMBL11385298 0.73 LMNA (0.38) ALDH1A1CA2DNM1TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215888-A1 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2009-08-27 US claimed
EP-1909772-A1 TRANSDERMAL DRUG DELIVERY FORMULATION Nuvo Research Inc. (CA) 2008-04-16 EP claimed
WO-2007098591-A2 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2007-09-07 WO claimed
WO-2007016766-A1 TRANSDERMAL DRUG DELIVERY FORMULATION NUVO RESEARCH INC. (CA) 2007-02-15 WO claimed
EP-3357908-B1 METHOD FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-12-09 EP disclosed
EP-3357898-B1 METHOD FOR PRODUCING ORGANIC COMPOUND FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-11-25 EP disclosed
US-10351512-B2 Method of producing organic compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-07-16 US disclosed
US-20180244604-A1 METHOD OF PRODUCING ORGANIC COMPOUND FUJIFILM FINECHEMICALS CO., LTD. (JP) 2018-08-30 US disclosed
EP-3357898-A1 METHOD FOR PRODUCING ORGANIC COMPOUND Fujifilm Finechemicals Co., Ltd. (JP) 2018-08-08 EP disclosed
EP-3357908-A1 METHOD FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND Fujifilm Finechemicals Co., Ltd. (JP) 2018-08-08 EP disclosed
US-20090215888-A1 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2009-08-27 US disclosed
US-20080319092-A1 Transdermal Drug Delivery Formulation NUVO RESEARCH INC. (CA) 2008-12-25 US disclosed
WO-2007098591-A2 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2007-09-07 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 (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-20180244604-A1 METHOD OF PRODUCING ORGANIC COMPOUND LPO, OR10J3, AOX1 ALDH1A1 790/4885TDP1 4578/4885CA2 1957/4885
US-10351512-B2 Method of producing organic compound LPO, OR10J3, AOX1 ALDH1A1 790/4885TDP1 4578/4885CA2 1957/4885

“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.