SCHEMBL20172800

SCHEMBL20172800

Cc1cccc2c1oc1c(N(C)c3ccccc3F)cccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
MCL1 Q07820 1/20 0.36
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2A6 P11509 2/20 0.32
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PRKDC P78527 2/20 0.30
C1R P00736 1/20 0.30

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) ALDH1A1NPC1RAB9AC1R
SCHEMBL20172802 0.88 ACHE (0.37) ACHEHSD17B1HSD17B2ALDH1A1CYP2A6
SCHEMBL20172797 0.87 MCL1 (0.39) MCL1HSD17B1HSD17B2ALDH1A1CYP2A6
SCHEMBL20650422 0.84 ACHE (0.36) ACHEMCL1ALDH1A1CYP2A6CYP1A2
SCHEMBL20172788 0.83 ALOX5 (0.38) ALDH1A1LMNAPOLBMAPTNPC1
SCHEMBL20172862 0.82 C1R (0.32) C1R
SCHEMBL26785712 0.81 MCL1 (0.41) MCL1CYP2A6CYP1A2MAOAMAOB
SCHEMBL20172826 0.81 KIF11 (0.32)
SCHEMBL21019992 0.81 SIGMAR1 (0.34)
SCHEMBL21021439 0.81 POLB (0.36) ALDH1A1CYP1A2LMNAPOLBRAB9A

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 337/4885MCL1 1592/4885HSD17B1 2267/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ACHE 562/4885MCL1 2135/4885HSD17B1 2644/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ACHE 337/4885MCL1 1592/4885HSD17B1 2267/4885

“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.