SCHEMBL20739623

SCHEMBL20739623

CC(C)COc1ccc(C2(c3ccc(OCC(C)C)cc3)CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.50
▸ PSMB1 P20618 1/20 0.50
▸ PSMB5 P28074 1/20 0.50
▸ PSMB2 P49721 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ LMNA P02545 2/20 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
SCHEMBL20739453 0.86 LMNA (0.53) POLBPSMB1PSMB5PSMB2CYP3A4
SCHEMBL3624111 0.85 LMNA (0.51) POLBPSMB1PSMB5PSMB2CYP3A4
SCHEMBL7912663 0.79 PSMB1 (0.48) POLBPSMB1PSMB5PSMB2CYP2D6
SCHEMBL123415 0.78 MAPT (0.55) POLBTSHRKMT2AMEN1ALDH1A1
SCHEMBL26302359 0.78 ESR1 (0.54) POLBPSMB1PSMB5PSMB2ESR1
SCHEMBL14173383 0.77 PSMB1 (0.49) POLBPSMB1PSMB5PSMB2CYP2D6
SCHEMBL13385077 0.77 ALDH1A1 (0.47) POLBPSMB1PSMB5PSMB2CYP3A4
SCHEMBL6345254 0.76 TSHR (0.62) PSMB1PSMB5PSMB2CYP2D6ESR1
SCHEMBL12517096 0.76 PSMB1 (0.48) POLBPSMB1PSMB5PSMB2CYP2D6
SCHEMBL13385083 0.76 ALDH1A1 (0.46) PSMB1PSMB5PSMB2CYP3A4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654965-B2 Method of producing five-carbon ring-containing compound and five-carbon ring derivative-containing polyurethane, and five-carbon ring derivative-containing polyurethane NATIONAL CHUNG SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) 2020-05-19 — — US disclosed
US-20190048123-A1 METHOD OF PRODUCING FIVE-CARBON RING-CONTAINING COMPOUND AND FIVE-CARBON RING DERIVATIVE-CONTAINING POLYURETHANE, AND FIVE-CARBON RING DERIVATIVE-CONTAINING POLYURETHANE NATIONAL CHUNG SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) 2019-02-14 — — 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-20190048123-A1 METHOD OF PRODUCING FIVE-CARBON RING-CONTAINING COMPOUND AND FIVE-CARBON RING DERIVATIVE-CONTAINING POLYURETHANE, AND FIVE-CARBON RING DERIVATIVE-CONTAINING POLYURETHANE UROD, DCUN1D5, DCTD POLB 1327/4885PSMB1 3034/4885PSMB5 580/4885
US-10654965-B2 Method of producing five-carbon ring-containing compound and five-carbon ring derivative-containing polyurethane, and five-carbon ring derivative-containing polyurethane UROD, DCUN1D5, DCTD POLB 1327/4885PSMB1 3034/4885PSMB5 580/4885

“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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