SCHEMBL9880176

SCHEMBL9880176

COC(=O)C1C(C(=O)N2CCCCC2)[C@@H]2C=C[C@H]1O2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TFPI2 P48307 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ PPM1B O75688 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PPP1CC P36873 1/20 0.35
▸ USP2 O75604 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 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
SCHEMBL9880160 0.87 TSHR (0.54) TSHRATMSMN1; SMN2TFPI2HPGD
SCHEMBL19177682 0.85 TSHR (0.40) TSHRATMSMN1; SMN2TFPI2PPM1B
SCHEMBL12390011 0.83 TFPI2 (0.42) TSHRTFPI2HSD11B1HPGDALDH1A1
SCHEMBL9880141 0.81 TFPI2 (0.56) TFPI2HSD11B1HPGDALDH1A1PPM1B
SCHEMBL2005428 0.80 PPM1B (0.44) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL9696402 0.80 PPM1B (0.44) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2002666 0.80 PPM1B (0.44) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL12122109 0.80 TFPI2 (0.42) TSHRSMN1; SMN2TFPI2HSD11B1HPGD
SCHEMBL9880175 0.77 TFPI2 (0.59) TSHRATMSMN1; SMN2TFPI2HSD11B1
SCHEMBL1008906 0.73 PPM1B (0.56) TSHRALDH1A1PPM1BPTPN1PPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833450-B2 Oxabicycloheptanes and oxabicycloheptenes for the treatment of depressive and stress disorders LIXTE BIOTECHNOLOGY, INC. (US) 2017-12-05 — — US disclosed
US-20170340628-A1 PROTEIN PHOSPHATASE 2A INHIBITORS FOR TREATING MYELODYSPLASTIC SYNDROMES H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-30 — — US disclosed
US-20170209434-A1 PROTEIN PHOSPHATASE 2A INHIBITORS FOR TREATING MYELODYSPLASTIC SYNDROMES H LEE MOFFITT CANCER CT & RES (US) 2017-07-27 — — US disclosed
US-20170136008-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF OVARIAN CANCER LIXTE BIOTECHNOLOGY, INC. (US) 2017-05-18 — — US disclosed
US-20160303115-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF DEPRESSIVE AND STRESS DISORDERS LIXTE BIOTECHNOLOGY, INC. (US) 2016-10-20 — — US disclosed
US-20160074390-A1 HUMAN DOSING OF PHOSPHATASE INHIBITOR LIXTE BIOTECHNOLOGY, INC. (US) 2016-03-17 — — US disclosed
US-9079917-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2015-07-14 — — US disclosed
US-20150174123-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF REPERFUSION INJURY LIXTE BIOTECHNOLOGY, INC. (US) 2015-06-25 — — US disclosed
US-20150148353-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF DIABETES LIXTE BIOTECHNOLOGY, INC. (US) 2015-05-28 — — US disclosed
US-20150045373-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. 2015-02-12 — — US disclosed
US-8822461-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2014-09-02 — — US disclosed
US-20140235649-A1 USE OF PHOSPHATASE INHIBITORS OR HISTONE DEACETYLASE INHIBITORS TO TREAT DISEASES CHARACTERIZED BY LOSS OF PROTEIN FUNCTION LIXTE BIOTECHNOLOGY, INC. (US) 2014-08-21 — — US disclosed
US-20130302402-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. (US) 2013-11-14 — — US disclosed
US-20120135522-A1 METHODS OF MODULATING CELL REGULATION BY INHIBITING P53 LIXTE BIOTECHNOLOGY, INC. 2012-05-31 — — US disclosed
US-8058268-B2 Neuroprotective agents for the prevention and treatment of neurodegenerative diseases LIXTE BIOTECHNOLOGY, INC. (US) 2011-11-15 — — 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 (11 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-20160074390-A1 HUMAN DOSING OF PHOSPHATASE INHIBITOR PPM1A, PPP2R2A, PPM1B TSHR 2317/4885ATM 2344/4885SMN1; SMN2 2398/4885
US-20140235649-A1 USE OF PHOSPHATASE INHIBITORS OR HISTONE DEACETYLASE INHIBITORS TO TREAT DISEASES CHARACTERIZED BY LOSS OF PROTEIN FUNCTION HDAC1, PPP3CA, PPM1A TSHR 4100/4885ATM 2579/4885SMN1; SMN2 449/4885
US-20170136008-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF OVARIAN CANCER OAT, OGG1, OTC TSHR 2379/4885ATM 1053/4885SMN1; SMN2 4003/4885
US-20150045373-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE HCCS, OXA1L, OTC TSHR 1659/4885ATM 4401/4885SMN1; SMN2 2484/4885
US-20130302402-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE HCCS, OXA1L, OTC TSHR 1659/4885ATM 4401/4885SMN1; SMN2 2484/4885
US-20150148353-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF DIABETES PPP2CA, PPP6C, PPP3CA TSHR 745/4885ATM 2057/4885SMN1; SMN2 3554/4885
US-20090036309-A1 Oxabicycloheptanes and oxabicylcoheptenes, their preparation and use HCCS, VHL, OXA1L TSHR 2338/4885ATM 4617/4885SMN1; SMN2 3455/4885
US-20170340628-A1 PROTEIN PHOSPHATASE 2A INHIBITORS FOR TREATING MYELODYSPLASTIC SYNDROMES PPP2CA, PPP2R2A, PPP3CA TSHR 3625/4885ATM 172/4885SMN1; SMN2 837/4885
US-20170209434-A1 PROTEIN PHOSPHATASE 2A INHIBITORS FOR TREATING MYELODYSPLASTIC SYNDROMES PPP2CA, PPP2R2A, PPM1A TSHR 3796/4885ATM 279/4885SMN1; SMN2 1929/4885
US-20150174123-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF REPERFUSION INJURY PPP2CA, PPP4C, PPP3CA TSHR 2927/4885ATM 1023/4885SMN1; SMN2 2685/4885
US-20160303115-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF DEPRESSIVE AND STRESS DISORDERS HSD17B11, HSD17B1, CRH TSHR 845/4885ATM 3511/4885SMN1; SMN2 3124/4885

“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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