SCHEMBL27417832

SCHEMBL27417832

CC(C)=CCC/C(C)=C/CCC1(C)C=Cc2c(C)c(O)c3ccccc3c2O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.58
▸ PTPN1 P18031 1/20 0.55
▸ MAPT P10636 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ PNLIP P16233 1/20 0.53
▸ NR1H4 Q96RI1 4/20 0.50
▸ BACE1 P56817 2/20 0.50
▸ ALOX5 P09917 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ IDE P14735 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ VKORC1 Q9BQB6 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ LDHA P00338 1/20 0.41

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
SCHEMBL27160318 0.86 APP (0.63) APPPTPN1MAPTKMT2AMEN1
SCHEMBL27160316 0.86 APP (0.63) APPPTPN1MAPTKMT2AMEN1
SCHEMBL27160317 0.86 APP (0.63) APPPTPN1MAPTKMT2AMEN1
SCHEMBL27414830 0.86 APP (0.63) APPPTPN1MAPTKMT2AMEN1
SCHEMBL27417834 0.81 APP (0.58) APPPTPN1MAPTKMT2AMEN1
SCHEMBL29651335 0.81 VKORC1 (0.54) APPPTPN1MAPTKMT2AMEN1
SCHEMBL29884371 0.79 APP (0.51) APPPTPN1MAPTKMT2AMEN1
SCHEMBL10603080 0.78 APP (0.62) APPPTPN1MAPTKMT2AMEN1
SCHEMBL9321549 0.78 ALOX5 (0.58) APPPTPN1MAPTKMT2AMEN1
SCHEMBL27417852 0.76 ALOX5 (0.62) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228454-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASE IN TWO-PHASE SYSTEM DSM IP ASSETS B.V. (NL) 2024-07-11 — — US disclosed
US-20240228454-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASE IN TWO-PHASE SYSTEM DSM IP ASSETS B.V. (NL) 2024-07-11 — — US disclosed
US-20240217941-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASIC CATALYST DSM IP ASSETS B.V. (NL) 2024-07-04 — — US disclosed
US-20240217941-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASIC CATALYST DSM IP ASSETS B.V. (NL) 2024-07-04 — — 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-20240217941-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASIC CATALYST SQLE, VKORC1, TTPA APP 3682/4885PTPN1 4845/4885MAPT 4633/4885
US-20240228454-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASE IN TWO-PHASE SYSTEM TTPA, SQLE, VKORC1 APP 3586/4885PTPN1 4874/4885MAPT 4362/4885

“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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