SCHEMBL18612731

SCHEMBL18612731

CC1(C)CCC(C)(C)c2cc(NN)c(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 13/20 0.41
▸ RARB P10826 7/20 0.39
▸ RARG P13631 7/20 0.38
▸ RARA P10276 6/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RXRB P28702 5/20 0.35
▸ RXRG P48443 4/20 0.35
▸ CYP3A4 P08684 4/20 0.33
▸ CYP26A1 O43174 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ TBXA2R P21731 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
SCHEMBL15347776 0.79 RXRA (0.50) RXRARARBRARGRARACYP1A2
SCHEMBL9867919 0.74 RXRA (0.44) RXRARARBRARGRARACYP1A2
SCHEMBL18327675 0.71 RXRA (0.45) RXRARARBRARGRARACYP1A2
SCHEMBL6224470 0.71 RXRA (0.46) RXRARARBRARGRARACYP1A2
SCHEMBL19831160 0.70 RXRA (0.37) RXRARARBRARGRARACYP1A2
SCHEMBL7806009 0.69 RXRA (0.44) RXRARARBRARGRARACYP1A2
SCHEMBL5846259 0.69 RXRA (0.46) RXRARARBRARGRARACYP1A2
SCHEMBL19101607 0.69 CYP1A2 (0.42) RXRARARBRARGRARACYP1A2
SCHEMBL11599145 0.68 RXRA (0.42) RXRARARBRARGRARACYP1A2
SCHEMBL23633278 0.67 ALDH1A1 (0.54) RXRARARBRARGRARACYP1A2

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-20170066711-A1 METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-03-09 — — 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-20170066711-A1 METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND AOX1, NOX4, NOXO1 RXRA 1310/4885RARB 1021/4885RARG 1578/4885

“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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