SCHEMBL13549537

SCHEMBL13549537

CCCCCCc1ccc(-c2ncnc(-c3ccc(CCCCCC)cc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ MAPT P10636 3/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ RARB P10826 6/20 0.53
▸ RARA P10276 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ ESR1 P03372 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50

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
SCHEMBL13549532 0.93 RAB9A (0.53) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL28100682 0.92 RAB9A (0.55) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL12622274 0.89 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL12622306 0.87 ALDH1A1 (0.63) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL17156894 0.87 RAB9A (0.60) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL13539888 0.87 ALDH1A1 (0.62) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL28227628 0.87 HSD11B1 (0.56) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL12628223 0.83 HSD11B1 (0.62) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL11927622 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL11976539 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10KDM4ERAB9A

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-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 ALDH1A1 4138/4885MAPT 3186/4885HSD17B10 3795/4885

“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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