SCHEMBL20034040

SCHEMBL20034040

CC(C)c1cnccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
RPS6KA3 P51812 3/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2E1 P05181 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C8 P10632 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2A6 P11509 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2C19 P33261 3/20 0.42
NOTUM Q6P988 1/20 0.41
LIMK1 P53667 2/20 0.40
PDE10A Q9Y233 1/20 0.40
GSK3B P49841 2/20 0.40
SLC22A12 Q96S37 1/20 0.40
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL6910260 0.85 RPS6KA3 (0.57) TNFRPS6KA3MAOAMAOBCYP1A2
SCHEMBL6408659 0.83 RPS6KA3 (0.44) RPS6KA3MAOAMAOBCYP1A2CYP3A4
SCHEMBL21023410 0.83 RPS6KA3 (0.46) RPS6KA3PDE10AGSK3BSLC22A12CACNA1B
SCHEMBL18878406 0.80 MEN1 (0.44) RPS6KA3MAPT
SCHEMBL20365105 0.80 SLC22A12 (0.50) RPS6KA3CYP3A4GSK3BSLC22A12AURKA
SCHEMBL8819417 0.76 CA12 (0.51) RPS6KA3NOTUMLIMK1PDE10AKCNA5
SCHEMBL20033951 0.76 METAP2 (0.39) AKT1CA12CA1CA2CA9
SCHEMBL2737367 0.76 USP1 (0.50) CYP1A2CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL12304127 0.75 RPS6KA3 (0.41) RPS6KA3MAPT
SCHEMBL21692148 0.74 RPS6KA3 (0.59) TNFRPS6KA3MAOAMAOBCYP1A2

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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues UNIV ARIZONA STATE (US) 2021-07-15 US disclosed
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-05-18 US disclosed
US-10696845-B2 Energy-sensitive resin composition TOKYO OHKA KOGYO CO., LTD. (JP) 2020-06-30 US disclosed
US-20180223045-A1 POLYIMIDE PRECURSOR COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2018-08-09 US disclosed
US-20180226593-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-08-09 US disclosed
US-9941479-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-04-10 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 (4 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-20180226593-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues DPYD, DCTD, TYMP TNF 4536/4885RPS6KA3 2905/4885MAOA 3713/4885
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues DPYD, DCTD, TYMP TNF 4536/4885RPS6KA3 2905/4885MAOA 3713/4885
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues DPYD, DCTD, TYMP TNF 4536/4885RPS6KA3 2905/4885MAOA 3713/4885
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 TNF 4244/4885RPS6KA3 569/4885MAOA 4832/4885

“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.