SCHEMBL531371

SCHEMBL531371

NCCCc1cncn1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.73
CYP11B2 P19099 13/20 0.73
IDO1 P14902 1/20 0.51
HPGDS O60760 1/20 0.44
CYP2A6 P11509 1/20 0.44
P2RX7 Q99572 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAOA P21397 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
SCHEMBL8971686 0.90 CYP11B1 (0.68) CYP11B1CYP11B2IDO1HPGDSCYP2A6
SCHEMBL6774918 0.81 CYP11B1 (0.82) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL9570444 0.81 CYP11B1 (0.68) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL9121283 0.81 CYP11B1 (0.68) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL9092962 0.81 CYP11B1 (0.72) CYP11B1CYP11B2IDO1
Biphenyl SCHEMBL27333549 0.80 CYP11B1 (0.66) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL9123214 0.80 CYP11B1 (0.66) CYP11B1CYP11B2IDO1HPGDSP2RX7
Bromide SCHEMBL10583529 0.80 CYP11B1 (0.66) CYP11B1CYP11B2IDO1HPGDSP2RX7
Hydrochloric Acid SCHEMBL9122455 0.80 CYP11B1 (0.66) CYP11B1CYP11B2IDO1HPGDSP2RX7
Trifluoroacetic Acid SCHEMBL5880541 0.79 CYP11B1 (0.58) CYP11B1CYP11B2IDO1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365254-B Method for producing alcohol compound SUMITOMO CHEMICAL CO 2014-08-27 CN disclosed
CN-102365254-A Method for producing alcohol compound SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 CYP11B1 28/4885CYP11B2 17/4885IDO1 3924/4885

“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.