SCHEMBL17249528

SCHEMBL17249528

Cc1[nH]c2ccc(C(C)C)cc2c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.56
▸ GAA P10253 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ MAPT P10636 7/20 0.49
▸ KIF11 P52732 1/20 0.49
▸ AHR P35869 1/20 0.48
▸ HCRTR1 O43613 1/20 0.44
▸ HTR1D P28221 2/20 0.41
▸ GFER P55789 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL27438542 0.85 KIF11 (0.58) KDM4EGAAALDH1A1HPGDTHRB
SCHEMBL26497854 0.81 KDM4E (0.54) KDM4EGAAALDH1A1MAPTKIF11
SCHEMBL21376875 0.81 KIF11 (0.62) KDM4EGAAALDH1A1MAPTKIF11
SCHEMBL10067359 0.79 KDM4E (0.44) KDM4EGAAALDH1A1MAPTKIF11
SCHEMBL13881538 0.78 EIF4A3 (0.60) KDM4EGAAALDH1A1HPGDTHRB
SCHEMBL22756732 0.77 KIF11 (0.53) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL16454837 0.76 F2 (0.56) KDM4EGAAHPGDKIF11
SCHEMBL8692313 0.76 KDM4E (0.52) KDM4EGAAALDH1A1HPGDTHRB
SCHEMBL16688229 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL13174592 0.75 ALDH1A1 (0.56) KDM4EGAAALDH1A1HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110437126-B Organocatalytic indole non-activated sp3Method and application for asymmetric functionalization of carbon-hydrogen bond 香港科技大学深圳研究院 2020-11-13 — — CN disclosed
CN-110437126-A Organic catalysis indoles disactivation sp3The method and application of C-H bond asymmetry function dough HKUST SHENZHEN RES INSTITUTE 2019-11-12 — — CN disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 — — US disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 — — US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 — — 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-20150322056-A1 Factor IXa Inhibitors F9, F12, F8 KDM4E 2107/4885GAA 4102/4885ALDH1A1 3931/4885

“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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