SCHEMBL20133333

SCHEMBL20133333

Cc1cc2cc(OCCCNC(C)(C)C)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOB P27338 5/20 0.43
MAOA P21397 2/20 0.43
POLB P06746 1/20 0.42
NMT2 O60551 4/20 0.41
NMT1 P30419 4/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
CA6 P23280 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CA4 P22748 2/20 0.39
CA3 P07451 1/20 0.39

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
SCHEMBL19978008 0.86 HTR1B (0.47) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL18611618 0.85 KDM4E (0.43) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL20323697 0.84 HTR1B (0.46) KDM4EALDH1A1MAOBMAOACA12
SCHEMBL19959021 0.81 KDM4E (0.48) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL31302492 0.79 MAOB (0.44) MAOBMAOACA12CA9CA1
SCHEMBL18551045 0.79 MAOB (0.44) MAOBMAOACA12CA9CA1
SCHEMBL30230211 0.77 DYRK1A (0.44) MAOBMAOACA12CA9CA1
SCHEMBL22005806 0.77 KDM4E (0.36) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL20234211 0.76 KDM4E (0.38) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL13799428 0.75 ALDH1A1 (0.50) KDM4EALDH1A1MAOBMAOAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 KDM4E 1212/4885ALDH1A1 4249/4885MAOB 3676/4885

“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.