SCHEMBL21922529

SCHEMBL21922529

BC(C)(C)n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 3/20 0.42
▸ KIF11 P52732 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ DNMT1 P26358 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL19421846 0.83 HTR1D (0.45) HTR1DKIF11ALDH1A1HPGDALOX15
SCHEMBL21921315 0.79 HTR1D (0.42) HTR1DKIF11ALDH1A1HPGDALOX15
SCHEMBL24703542 0.76 PGR (0.47) HTR1DKIF11ALDH1A1HPGDALOX15
SCHEMBL2604384 0.76 HTR1D (0.50) HTR1DKIF11ALDH1A1HPGDALOX15
SCHEMBL19373831 0.75 TSHR (0.45) HTR1DKIF11ALDH1A1HPGDALOX15
SCHEMBL30416289 0.75 KIF11 (0.47) HTR1DKIF11ALDH1A1HPGDALOX15
SCHEMBL25671071 0.75 KIF11 (0.47) HTR1DKIF11ALDH1A1HPGDALOX15
SCHEMBL22088035 0.74 HTR1D (0.45) HTR1DKIF11ALDH1A1HPGDALOX15
SCHEMBL30624740 0.74 HTR1D (0.45) HTR1DKIF11ALDH1A1HPGDALOX15
SCHEMBL24522085 0.74 HTR1D (0.45) HTR1DKIF11ALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11545691-B2 Redox flow battery BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-01-03 — — US disclosed
US-20200136165-A1 REDOX FLOW BATTERY BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2020-04-30 — — 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 (2 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-11545691-B2 Redox flow battery NOX4, CYBB, SOD1 HTR1D 2585/4885KIF11 2429/4885ALDH1A1 289/4885
US-20200136165-A1 REDOX FLOW BATTERY NOX4, CYBB, SOD1 HTR1D 2585/4885KIF11 2429/4885ALDH1A1 289/4885

“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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