SCHEMBL17544004

SCHEMBL17544004

[CH2]c1cccc(-c2nc3cc(OCc4ccc(OC)cn4)ccc3o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HPGD P15428 6/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.49
TP53 P04637 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GLA P06280 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 5/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL23633322 0.89 SMN1; SMN2 (0.58) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL21814253 0.88 HSD17B10 (0.41) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL17544797 0.86 HSD17B10 (0.53) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL30402440 0.86 ALDH1A1 (0.53) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL17544578 0.86 ALDH1A1 (0.53) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL30403122 0.86 HSD17B10 (0.53) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL17544292 0.85 RAB9A (0.47) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL19428553 0.85 ALDH1A1 (0.49) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL17544253 0.85 TP53 (0.50) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL30402349 0.85 RAB9A (0.47) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2

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-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2023-07-06 US disclosed
EP-4006016-A2 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2022-06-01 EP disclosed
US-11059836-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-07-13 US disclosed
US-20200102328-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2020-04-02 US disclosed
US-10479802-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2019-11-19 US disclosed
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 US disclosed
EP-3186233-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-07-05 EP disclosed
WO-2016033445-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO 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 (5 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-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 ALDH1A1 3976/4885HPGD 2107/4885RAB9A 1100/4885
US-10479802-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 ALDH1A1 3949/4885HPGD 2117/4885RAB9A 993/4885
US-11059836-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 ALDH1A1 3976/4885HPGD 2107/4885RAB9A 1100/4885
US-20200102328-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 ALDH1A1 3976/4885HPGD 2107/4885RAB9A 1100/4885
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 ALDH1A1 3949/4885HPGD 2117/4885RAB9A 993/4885

“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.