SCHEMBL20017223

SCHEMBL20017223

O=C(CCN1CCCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ GFER P55789 1/20 0.60
▸ LMNA P02545 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ HTT P42858 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ TP53 P04637 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ EPHX2 P34913 1/20 0.55
▸ THRB P10828 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ DRD2 P14416 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ CHRM4 P08173 1/20 0.53

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
SCHEMBL12125282 0.87 ALDH1A1 (0.68) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL12123647 0.83 ALDH1A1 (0.65) ALDH1A1KMT2AGFERLMNAMAPT
SCHEMBL5365088 0.82 SIGMAR1 (0.69) ALDH1A1KMT2ALMNAHTTCHRM4
SCHEMBL7350313 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AGFERLMNAMAPT
SCHEMBL11755100 0.81 ALDH1A1 (0.71) ALDH1A1KMT2AGFERLMNAMAPT
SCHEMBL8001854 0.80 ALDH1A1 (0.70) ALDH1A1KMT2AGFERLMNAMAPT
SCHEMBL26135918 0.79 MMP1 (0.76) ALDH1A1MAPTHRH3MMP1
SCHEMBL13069210 0.79 ALDH1A1 (0.73) ALDH1A1KMT2AGFERLMNAMAPT
SCHEMBL12267314 0.79 ALDH1A1 (0.78) ALDH1A1KMT2AGFERLMNAMAPT
SCHEMBL1140551 0.79 ALDH1A1 (0.68) ALDH1A1KMT2AGFERLMNAMAPT

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
US-11198679-B2 Method of treating or preventing Ras-mediated diseases ADT PHARMACEUTICALS, LLC (US) 2021-12-14 — — US disclosed
US-20200223817-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS, LLC (US) 2020-07-16 — — US disclosed
US-9931315-B2 Method of selectively inhibiting Ras-mediated tumor growth in humans ADT PHARMACEUTICALS, INC. (US) 2018-04-03 — — 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-11198679-B2 Method of treating or preventing Ras-mediated diseases KRAS, NRAS, HRAS ALDH1A1 1984/4885KMT2A 2337/4885GFER 1706/4885
US-20200223817-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES KRAS, NRAS, HRAS ALDH1A1 1984/4885KMT2A 2337/4885GFER 1706/4885

“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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