SCHEMBL20128322

SCHEMBL20128322

CCC(C)(C)c1ccc(C(=O)CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 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
SCHEMBL10455979 0.86 MAPT (0.50) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL23323195 0.85 NPC1 (0.44) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL5874076 0.82 RAB9A (0.63) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL28774723 0.81 NPC1 (0.50) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL22118677 0.80 NPC1 (0.47) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL444583 0.80 MEN1 (0.59) NPC1RAB9APOLBCYP2C9ALDH1A1
SCHEMBL3435838 0.80 EPHX2 (0.49) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL18535911 0.78 NPC1 (0.45) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL9483965 0.78 EPHX2 (0.50) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL11615735 0.78 NPC1 (0.45) NPC1RAB9AMAPTPOLBCYP2C9

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-20180127606-A1 ENERGY CURABLE INKJET INKS AND COATING COMPOSITIONS SUN CHEMICAL CORPORATION (US) 2018-05-10 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-20180127606-A1 ENERGY CURABLE INKJET INKS AND COATING COMPOSITIONS PNMT, PHOSPHO1, KMT5A NPC1 3894/4885RAB9A 1838/4885MAPT 499/4885

“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.