SCHEMBL14957993

SCHEMBL14957993

C=CCOc1c(O)cccc1OCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
JAK2 O60674 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1838521 0.86 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19PTPN1SMN1; SMN2
SCHEMBL7072808 0.86 HPGD (0.47) CYP1A2SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL14957621 0.83 HTT (0.43) CYP1A2SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL8223057 0.82 L3MBTL1 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL3459654 0.81 KDM4E (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL1840614 0.81 LMNA (0.47) CYP1A2CYP2C9CYP2C19PTPN1SMN1; SMN2
SCHEMBL1836358 0.80 LMNA (0.50) PTPN1TSHRCNR1CNR2ALDH1A1
SCHEMBL1837839 0.80 LMNA (0.50) PTPN1TSHRCNR1CNR2ALDH1A1
SCHEMBL1837560 0.80 LMNA (0.50) PTPN1TSHRCNR1CNR2ALDH1A1
SCHEMBL1837216 0.80 LMNA (0.50) PTPN1TSHRCNR1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 US claimed

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-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni CDV3, ETV1, BOLA2; BOLA2B CYP1A2 2346/4885CYP2C9 3808/4885CYP2C19 4271/4885

“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.