SCHEMBL10247576

SCHEMBL10247576

c1ccc(C2(Cn3ccnc3)OCCO2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HMOX1 P09601 2/20 0.47
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
TBXAS1 P24557 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
QPCT Q16769 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
QPCTL Q9NXS2 1/20 0.46
CYP17A1 P05093 1/20 0.42

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
Hydrochloric Acid SCHEMBL410844 0.98 TSHR (0.49) TSHRMAPK1SMN1; SMN2L3MBTL1HMOX1
SCHEMBL10850007 0.92 CYP11B1 (0.51) TSHRMAPK1SMN1; SMN2L3MBTL1HMOX1
Hydrochloric Acid SCHEMBL9996055 0.90 CYP11B1 (0.50) HMOX1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL12045394 0.89 LTA4H (0.51) TSHRMAPK1SMN1; SMN2L3MBTL1HMOX1
SCHEMBL10853713 0.88 CYP11B1 (0.51) TSHRMAPK1SMN1; SMN2L3MBTL1HMOX1
Hydrochloric Acid SCHEMBL9996120 0.88 KMT2A (0.52) TSHRMAPK1SMN1; SMN2L3MBTL1HMOX1
SCHEMBL10850378 0.86 CYP11B1 (0.49) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL12045386 0.85 HMOX1 (0.61) MAPK1HMOX1CYP11B1CYP11B2CYP19A1
SCHEMBL11241264 0.85 CYP11B1 (0.49) HMOX1CYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL12045382 0.85 CYP2A6 (0.50) HMOX1CYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO 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 (4 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 TSHR 2047/4885MAPK1 2234/4885SMN1; SMN2 213/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TSHR 3944/4885MAPK1 2284/4885SMN1; SMN2 95/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TSHR 3944/4885MAPK1 2284/4885SMN1; SMN2 95/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TSHR 4163/4885MAPK1 2159/4885SMN1; SMN2 122/4885

“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.