SCHEMBL20469944

SCHEMBL20469944

CC(C)c1cc2cc(CC(C)c3cnc4ccccc4c3)ccc2cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ CYP1A2 P05177 1/20 0.36
▸ PDE10A Q9Y233 3/20 0.36
▸ ACACB O00763 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GRM4 Q14833 1/20 0.34
▸ OGA O60502 1/20 0.34
▸ ITGB2 P05107 5/20 0.33
▸ ICAM1 P05362 5/20 0.33
▸ ITGAL P20701 5/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ ADRB2 P07550 2/20 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
SCHEMBL24758455 0.85 HTR2A (0.47) HTR2AHTR2CHTR2BCYP1A2PDE10A
SCHEMBL22179531 0.85 MEN1 (0.37) HTR2AHTR2CHTR2BCYP1A2PDE10A
SCHEMBL23939714 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BCYP1A2ACACB
SCHEMBL21282994 0.82 CYP1A2 (0.37) HTR2AHTR2CHTR2BCYP1A2PDE10A
SCHEMBL25728286 0.78 HTR2A (0.47) HTR2AHTR2CHTR2BCYP1A2ADRB2
SCHEMBL25098855 0.77 AKT1 (0.40) HTR2AHTR2CHTR2BPDE10AGRM4
SCHEMBL23841158 0.75 HTR2A (0.38) HTR2AHTR2CHTR2BCYP1A2PDE10A
SCHEMBL23008292 0.74 HTR2A (0.42) HTR2AHTR2CHTR2BCYP1A2PDE10A
SCHEMBL21282890 0.73 HTR2A (0.35) HTR2AHTR2CHTR2BCYP1A2PDE10A
SCHEMBL21880734 0.73 MET (0.41) PDE10AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220394973-A1 ANTI-FUNGALS COMPOUNDS TARGETING THE SYNTHESIS OF FUNGAL SPHINGOLIPIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-12-15 — — US disclosed
US-10954340-B2 Polyimide precursor composition TOKYO OHKA KOGYO CO., LTD. (JP) 2021-03-23 — — US disclosed
US-10696845-B2 Energy-sensitive resin composition TOKYO OHKA KOGYO CO., LTD. (JP) 2020-06-30 — — US disclosed
US-20190225804-A1 ENERGY-SENSITIVE RESIN COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2019-07-25 — — US disclosed
US-20180223045-A1 POLYIMIDE PRECURSOR COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2018-08-09 — — 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-20220394973-A1 ANTI-FUNGALS COMPOUNDS TARGETING THE SYNTHESIS OF FUNGAL SPHINGOLIPIDS ERG28, UGCG, DPM1 HTR2A 4490/4885HTR2C 4546/4885HTR2B 4756/4885

“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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