SCHEMBL15768602

SCHEMBL15768602

CCC1(C(=O)O)C(c2cc(C3CC3)nc(C3CC3)c2)C1c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.53
RIPK1 Q13546 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALPL P05186 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
HCAR2 Q8TDS4 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
DRD4 P21917 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL12498732 1.00 HDAC4 (0.53) HDAC4RIPK1CYP1A2ALPLCYP2C9
SCHEMBL15768671 0.93 HDAC4 (0.46) HDAC4RIPK1CYP1A2ALPLCYP2C9
SCHEMBL12499524 0.93 HDAC4 (0.46) HDAC4RIPK1CYP1A2ALPLCYP2C9
SCHEMBL12497847 0.88 HDAC4 (0.56) HDAC4RIPK1HCAR2HDAC9KDM1A
SCHEMBL15768522 0.88 HDAC4 (0.56) HDAC4RIPK1HCAR2HDAC9KDM1A
SCHEMBL15768725 0.82 HDAC4 (0.43) HDAC4RIPK1CYP1A2CYP2C9CYP2C19
SCHEMBL12499773 0.82 HDAC4 (0.43) HDAC4RIPK1CYP1A2CYP2C9CYP2C19
SCHEMBL12498067 0.82 HDAC4 (0.43) HDAC4RIPK1CYP1A2CYP2C9CYP2C19
SCHEMBL15768956 0.74 HDAC4 (0.55) HDAC4POLBHDAC9HDAC3HDAC7
SCHEMBL12498650 0.74 HDAC4 (0.55) HDAC4POLBHDAC9HDAC3HDAC7

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-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885RIPK1 3610/4885CYP1A2 2659/4885

“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.