SCHEMBL18593346

SCHEMBL18593346

CC(C)(C)c1cc(C(C)(C)C)c2oc(CCCc3ccccc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 10/20 0.42
▸ MTNR1B P49286 10/20 0.42
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37

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
SCHEMBL29658290 0.92 MAPT (0.45) MTNR1AMTNR1BLMNATP53RAB9A
SCHEMBL18593345 0.92 MAPT (0.45) MTNR1AMTNR1BLMNATP53RAB9A
SCHEMBL18593344 0.86 MEN1 (0.43) LMNATP53MAPTCYP1A2CYP3A4
SCHEMBL29819607 0.81 HSD17B10 (0.39) MTNR1AMTNR1BLMNATP53RAB9A
SCHEMBL28625969 0.81 HSD17B10 (0.39) MTNR1AMTNR1BLMNATP53RAB9A
SCHEMBL18593347 0.80 ELANE (0.37) MTNR1AMTNR1BLMNATP53MAPT
SCHEMBL18593353 0.80 TSHR (0.48) LMNATP53RAB9ANPC1MAPT
SCHEMBL18593350 0.79 LMNA (0.36) LMNATP53MAPTKDM4ECYP1A2
SCHEMBL27996361 0.77 LMNA (0.38) MTNR1AMTNR1BLMNATP53MAPT
SCHEMBL18593349 0.76 LMNA (0.38) LMNATP53MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856208-B2 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) 2018-01-02 — — US disclosed
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
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 MTNR1A 2511/4885MTNR1B 1634/4885LMNA 1484/4885

“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.

Send feedback