SCHEMBL18354583

SCHEMBL18354583

CC(=O)c1cc(C)cc(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ RXRA P19793 3/20 0.53
▸ RXRB P28702 3/20 0.53
▸ POLB P06746 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ KMO O15229 1/20 0.46
▸ FABP1 P07148 1/20 0.45
▸ P2RY14 Q15391 1/20 0.45
▸ DHODH Q02127 4/20 0.45
▸ TPMT P51580 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RXRG P48443 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
SCHEMBL10046636 0.88 MAPT (0.68) MAPTSMN1; SMN2RXRARXRBKMO
SCHEMBL7247750 0.86 RXRA (0.66) MAPTRXRARXRBPOLBCTDSP1
SCHEMBL30116316 0.83 DHODH (0.66) MAPTRXRARXRBPOLBCTDSP1
SCHEMBL4729014 0.82 DHODH (0.65) MAPTSMN1; SMN2RXRARXRBKMO
Bicarbonate SCHEMBL27850297 0.81 RXRA (0.63) MAPTSMN1; SMN2RXRARXRBPOLB
SCHEMBL7248274 0.80 TSHR (0.55) MAPTRXRARXRBPOLBCTDSP1
SCHEMBL27577941 0.80 RXRA (0.49) MAPTSMN1; SMN2RXRARXRBPOLB
Acetophenone SCHEMBL28342406 0.79 MAPT (0.75) MAPTSMN1; SMN2CTDSP1KMODHODH
SCHEMBL3787106 0.79 MAPT (0.57) MAPTSMN1; SMN2RXRARXRBKMO
Hydrochloric Acid SCHEMBL27634975 0.79 BRD4 (0.50) MAPTRXRARXRBKMODHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 — — US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 — — US disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 — — 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-20170001960-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 MAPT 4692/4885SMN1; SMN2 3447/4885RXRA 304/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 MAPT 4692/4885SMN1; SMN2 3447/4885RXRA 304/4885

“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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