SCHEMBL13549532

SCHEMBL13549532

CCCCc1ccc(-c2ncnc(-c3ccc(CCCC)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ NPC1 O15118 3/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ S1PR1 P21453 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RARB P10826 6/20 0.50
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 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
SCHEMBL28227628 0.93 HSD11B1 (0.56) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL13549537 0.93 ALDH1A1 (0.62) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL13539887 0.88 RAB9A (0.57) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL28100682 0.86 RAB9A (0.55) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL17156894 0.84 RAB9A (0.60) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL13539888 0.82 ALDH1A1 (0.62) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL12374397 0.81 RAB9A (0.51) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL12622274 0.81 ALDH1A1 (0.65) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL19784929 0.80 HSD11B1 (0.61) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL1660424 0.80 RAB9A (0.59) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109836461-A Metal complex and organic luminescent device 剑桥显示技术有限公司 2019-06-04 — — CN disclosed
CN-107709515-A METAL COMPLEX AND ORGANIC LIGHT-EMITTING DEVICE 剑桥显示技术有限公司 2018-02-16 — — CN disclosed
US-20100019669-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE CONTAINING THOSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-28 — — 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-20100019669-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE CONTAINING THOSE AP1M1, MRPL21, C1R RAB9A 848/4885SMN1; SMN2 2854/4885ALDH1A1 4138/4885

“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.

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