SCHEMBL21657656

SCHEMBL21657656

Cc1ccc2c(c1)O[C@@H](C)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.50
BRD4 O60885 1/20 0.50
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1B1 P15121 1/20 0.40
MAOB P27338 6/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
OGA O60502 2/20 0.38
PBRM1 Q86U86 1/20 0.38
ALDH2 P05091 1/20 0.37

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
SCHEMBL7916564 1.00 CREBBP (0.50) CREBBPBRD4TDP1ACHEALDH1A1
SCHEMBL15667383 0.84 TDP1 (0.57) CREBBPBRD4TDP1ALDH1A1GAA
SCHEMBL318360 0.84 TDP1 (0.57) CREBBPBRD4TDP1ALDH1A1GAA
SCHEMBL15667344 0.84 TDP1 (0.57) CREBBPBRD4TDP1ALDH1A1GAA
SCHEMBL10262750 0.81 CREBBP (0.41) CREBBPBRD4ACHEALDH1A1AKR1B1
SCHEMBL13475983 0.81 ACHE (0.40) CREBBPBRD4ACHEALDH1A1AKR1B1
SCHEMBL14449384 0.81 ACHE (0.40) CREBBPBRD4ACHEALDH1A1AKR1B1
SCHEMBL27541843 0.80 MAOB (0.39) CREBBPBRD4ACHEALDH1A1AKR1B1
SCHEMBL5547658 0.78 ALDH1A1 (0.47) CREBBPBRD4TDP1ALDH1A1GAA
SCHEMBL18114486 0.78 PBRM1 (0.56) TDP1ALDH1A1GAASMN1; SMN2AKR1B1

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-20200029565-A1 2-AMINO-5-OXYALKYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2020-01-30 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-20200029565-A1 2-AMINO-5-OXYALKYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH PFAS, ODC1, GART CREBBP 4129/4885BRD4 4281/4885TDP1 1509/4885

“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.