SCHEMBL9996100

SCHEMBL9996100

Clc1ccc(C2(Cn3ccnc3)OCCO2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.43
SIGMAR1 Q99720 2/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP17A1 P05093 3/20 0.40
CYP21A2 P08686 3/20 0.40
CYP11B1 P15538 2/20 0.40

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
SCHEMBL12045382 0.85 CYP2A6 (0.50) HMOX1CYP11B1
Hydrochloric Acid SCHEMBL9996049 0.84 HMOX1 (0.49) HMOX1CYP11B1
SCHEMBL10854751 0.82 CYP11B1 (0.47) HMOX1CYP17A1CYP21A2CYP11B1
SCHEMBL11353545 0.81 CYP19A1 (0.50) HMOX1CYP11B1
SCHEMBL15763346 0.80 CYP17A1 (0.45) HMOX1CYP17A1CYP21A2CYP11B1
SCHEMBL12045386 0.80 HMOX1 (0.61) HMOX1CYP11B1
Hydrochloric Acid SCHEMBL9996057 0.80 CYP19A1 (0.49) HMOX1CYP11B1
SCHEMBL10247576 0.79 TSHR (0.50) HMOX1CYP17A1CYP11B1
SCHEMBL11188956 0.79 POLB (0.41) HMOX1CYP11B1
Hydrochloric Acid SCHEMBL9996126 0.78 HMOX1 (0.62) HMOX1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US claimed
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-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-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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 HMOX1 2/4885SIGMAR1 1545/4885ALOX15 50/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HMOX1 1/4885SIGMAR1 2346/4885ALOX15 71/4885

“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.