SCHEMBL16451149

SCHEMBL16451149

C[N+]1(C)CCN(C(=O)C2C(C(=O)O)[C@H]3C=C[C@@H]2O3)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 2/20 0.45
▸ TFPI2 P48307 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ PPP5C P53041 2/20 0.40
▸ PPP2CA P67775 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.33

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
SCHEMBL9880146 0.81 TFPI2 (0.60) PPM1BTFPI2KDM4EPPP5CPPP2CA
SCHEMBL9880141 0.81 TFPI2 (0.56) PPM1BTFPI2KDM4EPPP5CPPP2CA
SCHEMBL14135612 0.80 TFPI2 (0.46) PPM1BTFPI2PPP5CPPP2CANPY4R
SCHEMBL9880144 0.78 TFPI2 (0.45) PPM1BTFPI2KDM4EPPP5CPPP2CA
SCHEMBL21360341 0.78 TFPI2 (0.45) PPM1BTFPI2KDM4EPPP5CPPP2CA
SCHEMBL9880153 0.78 HSD11B1 (0.45) PPM1BTFPI2KDM4EPPP5CPPP2CA
SCHEMBL9880149 0.74 RECQL (0.46) TFPI2PPP5CPPP2CANPY4RMEN1
SCHEMBL13480836 0.72 PPM1B (0.61) PPM1BKDM4EALDH1A1L3MBTL1TP53
SCHEMBL6778458 0.72 PPM1B (0.61) PPM1BKDM4EALDH1A1L3MBTL1TP53
SCHEMBL1005051 0.72 PPM1B (0.61) PPM1BKDM4EALDH1A1L3MBTL1TP53

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-9079917-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2015-07-14 — — US disclosed
US-20150045373-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. 2015-02-12 — — 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-20150045373-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE HCCS, OXA1L, OTC PPM1B 3573/4885TFPI2 4858/4885KDM4E 1204/4885

“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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