SCHEMBL19084938

SCHEMBL19084938

COc1c(-c2ccccc2F)ccc(-c2cc3cc(Br)ccc3cc2F)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 3/20 0.39
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
RPS6KA2 Q15349 1/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL19091476 0.87 NPC1 (0.42) NPC1HTTRAB9ACYP2A6ALDH1A1
SCHEMBL9107700 0.86 NPC1 (0.48) NPC1HTTRAB9AALDH1A1LMNA
SCHEMBL19077647 0.85 CYP2A6 (0.42) NPC1HTTRAB9ACYP2A6ALDH1A1
SCHEMBL19077660 0.82 CYP2A6 (0.42) NPC1HTTCYP2A6MAPTMEN1
SCHEMBL19082487 0.80 NPC1 (0.39) NPC1HTTRAB9ACYP2A6ALDH1A1
SCHEMBL19123470 0.79 NPC1 (0.46) NPC1HTTRAB9AALDH1A1LMNA
SCHEMBL10122741 0.78 NPC1 (0.44) NPC1HTTALDH1A1LMNATSHR
SCHEMBL16067545 0.76 ACHE (0.41) NPC1HTTRAB9ACYP2A6ALDH1A1
SCHEMBL16067924 0.75 NPC1 (0.41) NPC1HTTRAB9ACYP2A6ALDH1A1
SCHEMBL19091609 0.74 MAPT (0.39) NPC1HTTRAB9ACYP2A6ALDH1A1

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-20170194573-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 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-20170194573-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 NPC1 1508/4885HTT 3312/4885RAB9A 3068/4885

“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.