SCHEMBL13556913

SCHEMBL13556913

CC1C2CCC(O2)C1C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ TFPI2 P48307 1/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ TSHR P16473 2/20 0.51
▸ CYP2C19 P33261 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ PHGDH O43175 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ ACHE P22303 1/20 0.47

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
SCHEMBL2326970 0.88 TFPI2 (0.68) ALDH1A1TFPI2KMT2AMEN1TSHR
SCHEMBL19341777 0.88 TFPI2 (0.68) ALDH1A1TFPI2KMT2AMEN1TSHR
SCHEMBL9880151 0.88 TFPI2 (0.68) ALDH1A1TFPI2KMT2AMEN1TSHR
SCHEMBL2331589 0.85 TFPI2 (0.52) ALDH1A1TFPI2KMT2ALMNAMEN1
SCHEMBL12443568 0.83 TFPI2 (0.50) ALDH1A1TFPI2KMT2ALMNAMEN1
SCHEMBL12390225 0.79 TFPI2 (0.50) TFPI2KMT2ASMN1; SMN2
SCHEMBL5080239 0.76 KMT2A (0.78) ALDH1A1KMT2ALMNAMEN1TSHR
SCHEMBL19172946 0.76 HSD11B1 (0.60) ALDH1A1KMT2ALMNAMEN1TSHR
SCHEMBL9880152 0.75 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAMEN1TSHR
SCHEMBL9881182 0.74 TFPI2 (0.71) ALDH1A1TFPI2LMNATSHRCYP1A2

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-20120270736-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. (US) 2012-10-25 — — US disclosed
US-20090036309-A1 Oxabicycloheptanes and oxabicylcoheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. 2009-02-05 — — 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-20120270736-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE HCCS, OXA1L, OTC ALDH1A1 358/4885TFPI2 4858/4885KMT2A 1912/4885
US-20090036309-A1 Oxabicycloheptanes and oxabicylcoheptenes, their preparation and use HCCS, VHL, OXA1L ALDH1A1 473/4885TFPI2 4843/4885KMT2A 1652/4885

“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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