SCHEMBL12414712

SCHEMBL12414712

Cc1ncccc1COC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2C9 P11712 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
SCHEMBL17938444 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19765218 0.80 KDM4E (0.48) ALDH1A1KDM4EKMT2AHTTL3MBTL1
SCHEMBL14348152 0.77 FFAR1 (0.45) FFAR1SMN1; SMN2P2RX7KMT2ATSHR
SCHEMBL31150938 0.77 CASP3 (0.43) FFAR1NPC1RAB9ASMN1; SMN2P2RX7
SCHEMBL7384891 0.76 NPC1 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL4231829 0.75 ALDH1A1 (0.52) FFAR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL10258073 0.75 PGR (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2608860 0.75 KDM4E (0.55) FFAR1NPC1RAB9AP2RX7KDM4E
SCHEMBL14615243 0.74 KDM4E (0.49) FFAR1NPC1RAB9ASMN1; SMN2P2RX7
SCHEMBL24503486 0.74 NPC1 (0.42) NPC1SMN1; SMN2ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 FFAR1 404/4885NPC1 40/4885RAB9A 1068/4885

“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.