SCHEMBL5465796

SCHEMBL5465796

COc1cc(C(=O)O)c(N)c(C)c1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
PTPN1 P18031 1/20 0.48
HPGD P15428 2/20 0.47
PTGER1 P34995 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RXRA P19793 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
SLC6A5 Q9Y345 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL27854864 0.90 PTGER1 (0.50) CTSVCTSLHPGDPTGER1NPC1
SCHEMBL5466233 0.81 PKM (0.57) CTSVCTSLPTPN1PTGER1SMN1; SMN2
SCHEMBL642897 0.80 KDM4E (0.54) HPGD
SCHEMBL2317454 0.79 RXRA (0.61) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL24140919 0.79 MRGPRX4 (0.51) CTSVCTSLHPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL16143333 0.78 RXRA (0.60) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL18394067 0.78 HPGD (0.56) CTSVCTSLPTPN1HPGDNPC1
SCHEMBL30666033 0.78 HPGD (0.56) CTSVCTSLPTPN1HPGDNPC1
SCHEMBL3138320 0.77 CTSV (0.57) CTSVCTSLHPGDNPC1RAB9A
SCHEMBL4728946 0.77 CTSV (0.57) CTSVCTSLHPGDNPC1RAB9A

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-20070208164-A1 Methods of synthesizing radiolabeled 3-cyano[14C]quinolines WYETH (US) 2007-09-06 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 (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-20070208164-A1 Methods of synthesizing radiolabeled 3-cyano[14C]quinolines QPCT, RECQL, CBR3 CTSV 621/4885CTSL 1286/4885PTPN1 4256/4885

“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.