SCHEMBL22481338

SCHEMBL22481338

C=C(OCC)c1cccc(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
CYP1A2 P05177 1/20 0.44
DDR1 Q08345 1/20 0.40
GRM5 P41594 1/20 0.39
MAPK1 P28482 4/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
AHR P35869 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TLR9 Q9NR96 2/20 0.38
RAB9A P51151 1/20 0.38
BCL2A1 Q16548 1/20 0.38
ADRB1 P08588 1/20 0.38
CBLB Q13191 5/20 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
SCHEMBL26350956 0.81 CYP1A2 (0.70) P2RX7CYP1A2DDR1MAPK1IRAK4
SCHEMBL15322060 0.81 P2RX7 (0.49) P2RX7CYP1A2DDR1GRM5MAPK1
SCHEMBL31498919 0.81 CYP1A2 (0.70) P2RX7CYP1A2DDR1MAPK1IRAK4
SCHEMBL30806536 0.79 CYP1A2 (0.41) CYP1A2IRAK4MAPTCBLBIDH1
SCHEMBL14149399 0.78 CYP1A2 (0.50) P2RX7CYP1A2GRM5ALDH1A1TP53
SCHEMBL26981246 0.78 KDM4E (0.37) CYP1A2MAPK1ALDH1A1L3MBTL1TP53
SCHEMBL29947388 0.78 KDM4E (0.37) CYP1A2MAPK1ALDH1A1L3MBTL1TP53
SCHEMBL20028746 0.77 P2RX7 (0.55) P2RX7CYP1A2DDR1GRM5MAPK1
SCHEMBL9366200 0.76 P2RX7 (0.53) P2RX7DDR1IRAK4AHRADRB1
SCHEMBL18281305 0.76 MAPK1 (0.36) CYP1A2MAPK1ALDH1A1L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169612-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2022-06-02 US disclosed
US-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2021-12-02 US disclosed
US-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2021-06-24 US disclosed
US-11040944-B2 Beta adrenergic agonist and methods of using the same CURASEN THERAPEUTICS, INC. (US) 2021-06-22 US disclosed
WO-2020198466-A9 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020198466-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
US-20200308114-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2020-10-01 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 (5 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-20200308114-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C P2RX7 751/4885CYP1A2 733/4885DDR1 4591/4885
US-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C P2RX7 751/4885CYP1A2 733/4885DDR1 4591/4885
US-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF MAP3K11, MAP3K13, MAP3K1 P2RX7 4226/4885CYP1A2 2103/4885DDR1 1359/4885
US-11040944-B2 Beta adrenergic agonist and methods of using the same ADRB2, ADRB1, ADRA2C P2RX7 751/4885CYP1A2 733/4885DDR1 4591/4885
US-20220169612-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRA2B, ADRB2, ADRB1 P2RX7 502/4885CYP1A2 1080/4885DDR1 4710/4885

“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.