SCHEMBL21788145

SCHEMBL21788145

CC(C)NCC(CNC(C)C)COC(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.33
▸ ADRB1 P08588 4/20 0.33
▸ ADRB3 P13945 4/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ MAPT P10636 1/20 0.30

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
SCHEMBL21788090 0.95 ADRB2 (0.33) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL24064985 0.91 ADRB2 (0.31) ADRB2ADRB1ADRB3
SCHEMBL24117766 0.88 KDM4E (0.35) —
SCHEMBL23900916 0.87 ADRB2 (0.31) ADRB2ADRB1ADRB3
SCHEMBL23418290 0.87 ADRB2 (0.33) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL21788259 0.83 ADRB2 (0.32) ADRB2ADRB1ADRB3
SCHEMBL13059476 0.76 ADRB2 (0.32) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL23418071 0.76 ADRB2 (0.50) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL12122746 0.76 ADRB2 (0.50) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL19542989 0.75 ADRB2 (0.31) ADRB2ADRB1ADRB3CYP2D6

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-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-09-03 — — US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 — — 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 (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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ADRB2 3526/4885ADRB1 2961/4885ADRB3 4452/4885
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, TEK, BTN3A1 ADRB2 4067/4885ADRB1 3861/4885ADRB3 3598/4885

“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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