SCHEMBL22889052

SCHEMBL22889052

CC(C)C(C)c1cccc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
PTGS1 P23219 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX5 P09917 1/20 0.42
AR P10275 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
IL18 Q14116 1/20 0.39
SCN9A Q15858 7/20 0.38
FNTA P49354 1/20 0.38

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
SCHEMBL507026 0.88 CYP19A1 (0.47) CYP19A1PTGS1MEN1KMT2ACYP2D6
SCHEMBL13220693 0.82 PTGS1 (0.62) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL11169101 0.81 CYP19A1 (0.47) CYP19A1PTGS1MEN1KMT2ACYP2D6
SCHEMBL10927383 0.80 CYP19A1 (0.59) CYP19A1MEN1KMT2AARPARP15
SCHEMBL12251091 0.77 GLA (0.44) ADRA1A
SCHEMBL22435570 0.77 GLA (0.44) ADRA1A
SCHEMBL7072552 0.76 PTGS1 (0.44) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL31070296 0.76 AR (0.63) CYP19A1MEN1KMT2AARPARP15
SCHEMBL921433 0.76 AR (0.63) CYP19A1MEN1KMT2AARPARP15
SCHEMBL922717 0.76 SMN1; SMN2 (0.61) CYP19A1MEN1KMT2AARMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 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-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC CYP19A1 2456/4885PTGS1 1090/4885MEN1 3636/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC CYP19A1 2456/4885PTGS1 1090/4885MEN1 3636/4885

“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.