SCHEMBL20172802

SCHEMBL20172802

Cc1ccccc1N(C)c1cccc2c1oc1c(F)cccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HSD17B1 P14061 3/20 0.34
HSD17B2 P37059 3/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 2/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL20172817 0.89 NPC1 (0.34) ALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL20172800 0.88 ACHE (0.37) ACHEALDH1A1NPC1RAB9AHSD17B1
SCHEMBL20172797 0.87 MCL1 (0.39) ALDH1A1HSD17B1HSD17B2SIGMAR1CYP2A6
SCHEMBL21020447 0.86 CYP1A2 (0.32) NPC1RAB9ACYP2A6CYP1A2
SCHEMBL21020278 0.83 NPC1 (0.36) NPC1RAB9ASIGMAR1
SCHEMBL20172809 0.82 NPC1 (0.32) NPC1RAB9A
SCHEMBL20172791 0.81 PGR (0.40) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL20172804 0.81 POLB (0.36) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL20172835 0.81 ACP1 (0.33) ALDH1A1MAPTCYP1A2
SCHEMBL20172807 0.81 KIF11 (0.32) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 ACHE 337/4885ALDH1A1 87/4885NPC1 3214/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ACHE 562/4885ALDH1A1 1103/4885NPC1 1478/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ACHE 337/4885ALDH1A1 87/4885NPC1 3214/4885

“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.