SCHEMBL22800871

SCHEMBL22800871

C=CCCCOc1ccnc(-c2ccccc2C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTPN11 Q06124 2/20 0.36
▸ MAPK8 P45983 3/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ AGTR2 P50052 1/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4C Q9H3R0 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
SCHEMBL22800180 0.94 KDM4E (0.44) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL22800876 0.87 KDM4E (0.45) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL22800179 0.81 KDM4E (0.43) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL22800285 0.76 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4EPTPN11MEN1
SCHEMBL22799652 0.72 KDM4E (0.44) KDM4ENPC1RAB9APTPN11MAPK8
SCHEMBL22800172 0.72 KDM4E (0.63) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL20745442 0.70 RAB9A (0.43) ALDH1A1KDM4ENPC1RAB9AFOLH1
SCHEMBL465563 0.69 KDM4E (0.55) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL22800874 0.69 ALDH1A1 (0.38) ALDH1A1L3MBTL1
SCHEMBL22799642 0.68 KDM4E (0.61) ALDH1A1L3MBTL1KDM4ENPC1RAB9A

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 ALDH1A1 3918/4885L3MBTL1 3891/4885KDM4E 1957/4885

“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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