SCHEMBL5604431

SCHEMBL5604431

CCCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 4/20 0.59
ALDH1A1 P00352 3/20 0.59
TSHR P16473 3/20 0.59
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
CNR2 P34972 1/20 0.54
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ESR1 P03372 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1H2 P55055 1/20 0.51
RNASEL Q05823 1/20 0.51

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
SCHEMBL3031699 0.94 TDP1 (0.71) TDP1LMNAALDH1A1TSHRNPC1
SCHEMBL4334899 0.94 TDP1 (0.71) TDP1LMNAALDH1A1TSHRNPC1
SCHEMBL20606290 0.94 TDP1 (0.71) TDP1LMNAALDH1A1TSHRNPC1
SCHEMBL21829 0.94 TDP1 (0.71) TDP1LMNAALDH1A1TSHRNPC1
SCHEMBL246612 0.94 TDP1 (0.71) TDP1LMNAALDH1A1TSHRNPC1
SCHEMBL13048767 0.94 TDP1 (0.71) TDP1LMNAALDH1A1TSHRNPC1
SCHEMBL1401943 0.94 TDP1 (0.71) TDP1LMNAALDH1A1TSHRNPC1
SCHEMBL8333968 0.93 TDP1 (0.58) TDP1LMNAALDH1A1TSHRNPC1
SCHEMBL29369518 0.93 ALDH1A1 (0.68) LMNAALDH1A1TSHRNPC1MAPT
SCHEMBL29662808 0.93 ALDH1A1 (0.68) LMNAALDH1A1TSHRNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314021-B2 Formulations containing insect repellent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 US disclosed
US-20140288167-A1 Formulations Containing Insect Repellent Compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 US disclosed
US-8771718-B2 Formulated tick and insect repellent compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-08 US disclosed
US-8748477-B2 Formulations containing insect repellent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-10 US disclosed
US-20070264297-A1 Formulated tick and insect repellent compositions 1,4Group, Inc. 2007-11-15 US disclosed
US-20060223878-A1 Formulations containing insect repellent compounds 1,4Group, Inc. 2006-10-05 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-20140288167-A1 Formulations Containing Insect Repellent Compounds CAT, HNMT, MME TDP1 3118/4885LMNA 3157/4885ALDH1A1 1079/4885
US-20060223878-A1 Formulations containing insect repellent compounds CAT, HNMT, MME TDP1 3118/4885LMNA 3157/4885ALDH1A1 1079/4885
US-20070264297-A1 Formulated tick and insect repellent compositions MME, FNTA, ACHE TDP1 3003/4885LMNA 1412/4885ALDH1A1 3113/4885

“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.