SCHEMBL21544993

SCHEMBL21544993

CC(C)C(O)c1ccc(-c2nc3ccccc3o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.56
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
BCHE P06276 4/20 0.53
TP53 P04637 2/20 0.52
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47

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
SCHEMBL14523837 0.85 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL1102401 0.84 NPC1 (0.68) NPC1RAB9AMEN1KMT2AATM
SCHEMBL3325166 0.83 RAB9A (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL12852111 0.83 RAB9A (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11368923 0.82 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11697061 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31170 0.80 NPC1 (0.81) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11695483 0.80 MAOA (0.65) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23079718 0.79 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL14030921 0.79 NPC1 (0.56) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573611-B1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO LTD (TW) 2022-01-12 EP disclosed
EP-3573611-B1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO LTD (TW) 2022-01-12 EP disclosed
US-10882837-B2 Amide compounds and use thereof ALPHALA CO., LTD. (TW) 2021-01-05 US disclosed
US-10882837-B2 Amide compounds and use thereof ALPHALA CO., LTD. (TW) 2021-01-05 US disclosed
US-20190345118-A1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2019-11-14 US disclosed
US-20190345118-A1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2019-11-14 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 (2 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-10882837-B2 Amide compounds and use thereof GLP1R, IAPP, GCG NPC1 822/4885RAB9A 744/4885MEN1 833/4885
US-20190345118-A1 AMIDE COMPOUNDS AND USE THEREOF GLP1R, IAPP, GCG NPC1 822/4885RAB9A 744/4885MEN1 833/4885

“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.