SCHEMBL22506972

SCHEMBL22506972

O=C(c1cccc(-c2cccc(-c3cccc(C(=O)C(F)(F)F)c3)c2)c1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.59
CES1 P23141 1/20 0.59
KMO O15229 1/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
DHODH Q02127 1/20 0.43
CES2 O00748 1/20 0.42

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
SCHEMBL12745595 0.87 ACHE (0.56) ACHECES1HDAC6HDAC1HDAC8
SCHEMBL8755253 0.87 CES1 (0.70) ACHECES1HDAC6HDAC1CES2
SCHEMBL30166168 0.81 CES1 (0.65) ACHECES1HDAC6HDAC1CES2
SCHEMBL1273634 0.81 CES1 (0.65) ACHECES1HDAC6HDAC1CES2
SCHEMBL6263144 0.79 ACHE (0.59) ACHECES1HDAC6
SCHEMBL6295066 0.79 CES1 (0.65) ACHECES1KMOHDAC6HDAC1
SCHEMBL7052467 0.78 ACHE (0.58) ACHECES1HDAC6HDAC1CES2
SCHEMBL7048349 0.78 ACHE (0.58) ACHECES1HDAC6
SCHEMBL7048345 0.78 ACHE (0.58) ACHECES1HDAC6HDAC1CES2
SCHEMBL19267581 0.78 ACHE (0.68) ACHECES1HDAC6HDAC1CES2

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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB ACHE 914/4885CES1 2814/4885KMO 2303/4885

“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.