SCHEMBL313244

SCHEMBL313244

C[C](C)c1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.73
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
MAPT P10636 3/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
HPGD P15428 4/20 0.72
ALOX12 P18054 1/20 0.70
LMNA P02545 1/20 0.58
DGAT1 O75907 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52

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
SCHEMBL3915795 0.82 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL6624465 0.82 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL312905 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL14927290 0.81 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL9834670 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3973235 0.78 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL8507040 0.78 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL14927266 0.78 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL898645 0.78 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL8536799 0.76 NPC1 (0.58) ALDH1A1MEN1KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093428-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-10 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 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-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 ALDH1A1 1250/4885MEN1 4686/4885KMT2A 1470/4885

“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.