SCHEMBL27254591

SCHEMBL27254591

CCC(C)OPOC1Cc2ccccc2C1c1cnc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.37
CYP11B2 P19099 2/20 0.37
ADRA2A P08913 13/20 0.34
ADRA2B P18089 12/20 0.34
ADRA2C P18825 12/20 0.34
ADRA1B P35368 10/20 0.34
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.31

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 SCHEMBL27796359 0.71 CYP19A1 (0.46) CYP19A1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL27254356 0.67 IDO1 (0.39)
SCHEMBL18826073 0.59 HRH3 (0.52) CYP19A1CYP11B2ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9529847 0.58 HRH3 (0.50) CYP19A1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL13196399 0.58 ADRA2A (0.71) CYP19A1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL23259047 0.57 IDO1 (0.53) ADRA2BADRA2CADRA1A
SCHEMBL9610269 0.57 IDO1 (0.53) ADRA2BADRA2CADRA1A
SCHEMBL18826066 0.55 CYP19A1 (0.54) CYP19A1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL7944637 0.55 CYP11B2 (1.00) CYP19A1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL779556 0.55 ADRA2A (0.64) CYP19A1CYP11B2ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209008-A1 METHOD FOR PRODUCING ASYMMETRIC PHOSPHORIC ACID TRIESTER, METHOD FOR PRODUCING SYMMETRIC PHOSPHORIC ACID TRIESTER, METHOD FOR PRODUCING PHOSPHORIC ACID ESTER, AND METHOD FOR PRODUCING ORGANOPHOSPHORUS COMPOUND TOKYO INSTITUTE OF TECHNOLOGY (JP) 2024-06-27 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-20240209008-A1 METHOD FOR PRODUCING ASYMMETRIC PHOSPHORIC ACID TRIESTER, METHOD FOR PRODUCING SYMMETRIC PHOSPHORIC ACID TRIESTER, METHOD FOR PRODUCING PHOSPHORIC ACID ESTER, AND METHOD FOR PRODUCING ORGANOPHOSPHORUS COMPOUND HAO2, PLCB1, PHPT1 CYP19A1 277/4885CYP11B2 776/4885ADRA2A 2142/4885

“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.