SCHEMBL5156435

SCHEMBL5156435

Cc1ccc(C)c(C(CCCCc2ccccc2)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
LTB4R Q15722 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADAM17 P78536 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TRPA1 O75762 1/20 0.41
ASAH1 Q13510 1/20 0.41

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
SCHEMBL5156708 0.81 PDE5A (0.44) SMN1; SMN2MEN1KMT2A
SCHEMBL5459022 0.81 TSHR (0.49) MEN1KMT2A
SCHEMBL5457626 0.81 TSHR (0.49) MEN1KMT2A
SCHEMBL5457124 0.80 TSHR (0.51) POLBSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL6207758 0.78 SRC (0.42) SMN1; SMN2MEN1KMT2A
SCHEMBL8344865 0.77 TDP1 (0.41) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL8341422 0.76 TDP1 (0.40) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL28330859 0.76 SMN1; SMN2 (0.48) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6366174 0.75 KMT2A (0.41) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6366172 0.75 KMT2A (0.41) POLBNPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 POLB 4483/4885NPC1 822/4885RAB9A 3825/4885

“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.