SCHEMBL29316506

SCHEMBL29316506

CCC(C)(C)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
ATM Q13315 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
AHR P35869 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL19676925 0.90 AHR (0.47) NPC1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL16806204 0.88 SMN1; SMN2 (0.41) NPC1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL5030935 0.88 MAOA (0.53) NPC1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL25003944 0.84 MEN1 (0.45) NPC1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL12060916 0.82 MAPT (0.53) NPC1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL16806105 0.81 SMN1; SMN2 (0.41) NPC1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL31558552 0.79 NPC1 (0.50) NPC1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL31558450 0.79 SMN1; SMN2 (0.55) NPC1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL20099518 0.79 ALDH1A1 (0.43) NPC1SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL19257691 0.78 AHR (0.45) NPC1SMN1; SMN2MAPTRAB9AALDH1A1

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-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-07-18 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-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS AOX1, AOC2, OSTC NPC1 1744/4885SMN1; SMN2 3611/4885MAPT 2179/4885

“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.