SCHEMBL16437271

SCHEMBL16437271

COc1cc(C(C)(C)C)ccc1C1=CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.40
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ BTK Q06187 3/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ PIK3R1 P27986 2/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ AAK1 Q2M2I8 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL18330519 0.81 SUV39H2 (0.44) SUV39H2CCNT1CDK9PDE3BPDE3A
SCHEMBL26062785 0.74 CCNT1 (0.41) SUV39H2CCNT1CDK9PDE3BPDE3A
SCHEMBL28686966 0.72 EP300 (0.44) SUV39H2CCNT1CDK9PIK3CDPIK3R1
SCHEMBL21706106 0.69 ALDH1A1 (0.42) SUV39H2PDE3BPDE3APIK3CDPIK3CA
SCHEMBL19318456 0.69 EGFR (0.50) ALDH1A1DHODHSMN1; SMN2LMNAMAPT
SCHEMBL8357955 0.69 HSP90AA1 (0.44) PDE3BPDE3ABTKPIK3CDPIK3CA
SCHEMBL17548211 0.69 SUV39H2 (0.46) SUV39H2CCNT1CDK9PDE3BPDE3A
SCHEMBL20764947 0.69 TDP1 (0.38) SUV39H2CCNT1CDK9PDE3BPDE3A
SCHEMBL30439702 0.69 TDP1 (0.38) SUV39H2CCNT1CDK9PDE3BPDE3A
SCHEMBL20795222 0.67 CCNT1 (0.35) SUV39H2CCNT1CDK9PDE3BPDE3A

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-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 — — US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 — — US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 — — US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 — — US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 — — 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 (3 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-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN SUV39H2 2411/4885CCNT1 2281/4885CDK9 909/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN SUV39H2 2551/4885CCNT1 2171/4885CDK9 904/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN SUV39H2 2551/4885CCNT1 2171/4885CDK9 904/4885

“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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