SCHEMBL10122741

SCHEMBL10122741

COc1c(-c2ccccc2F)ccc(-c2cc(Br)ccc2F)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPRC P08575 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35

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
SCHEMBL9107700 0.91 NPC1 (0.48) NPC1HTTMAPTMEN1HPGD
SCHEMBL19082487 0.88 NPC1 (0.39) NPC1HTTPTPRCALDH1A1LMNA
SCHEMBL19110393 0.80 NPC1 (0.42) NPC1HTTMAPTMEN1HPGD
SCHEMBL19091476 0.78 NPC1 (0.42) NPC1HTTPTPRCALDH1A1LMNA
SCHEMBL19124874 0.78 NPC1 (0.45) NPC1HTTMAPTMEN1HPGD
SCHEMBL19123470 0.78 NPC1 (0.46) NPC1HTTMAPTTUBB4ATUBB
SCHEMBL19110428 0.78 NPC1 (0.46) NPC1HTTGABRA1GABRA5GABRA3
SCHEMBL19084938 0.78 NPC1 (0.43) NPC1HTTMAPTMEN1HPGD
SCHEMBL20321546 0.78 NPC1 (0.53) NPC1HTTMAPTMEN1HPGD
SCHEMBL16067924 0.77 NPC1 (0.41) NPC1HTTMAPTMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9373792-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-06-21 US disclosed
US-20150372237-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD (JP) 2015-12-24 US disclosed
US-9147847-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-29 US disclosed
US-20150005512-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-01-01 US disclosed
US-8866135-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-10-21 US disclosed
US-20140159005-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IIDEMITSU KOSAN CO., LTD (JP) 2014-06-12 US disclosed
US-8629430-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-14 US disclosed
US-20120138914-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 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 (4 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-20140159005-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 NPC1 3240/4885HTT 4272/4885MAPT 4239/4885
US-20150372237-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 NPC1 3240/4885HTT 4272/4885MAPT 4239/4885
US-20120138914-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 NPC1 3240/4885HTT 4272/4885MAPT 4239/4885
US-20150005512-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 NPC1 3240/4885HTT 4272/4885MAPT 4239/4885

“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.