SCHEMBL7218153

SCHEMBL7218153

CC(=O)c1ccc(C(C)(C)C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
RXRB P28702 1/20 0.50
NR1H4 Q96RI1 4/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESRRB O95718 1/20 0.43
ESRRG P62508 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL4516137 0.86 TDP1 (0.45) TDP1RXRBNR1H4TP53THRB
SCHEMBL17998017 0.85 TDP1 (0.56) TDP1RXRBNR1H4TP53THRB
SCHEMBL162565 0.83 RXRB (0.69) TDP1RXRBNR1H4AKR1C3AKR1C2
SCHEMBL10909662 0.83 TDP1 (0.50) TDP1RXRBNR1H4TP53THRB
SCHEMBL4343478 0.82 ALDH1A1 (0.57) TDP1NR1H4SMN1; SMN2MAPTALDH1A1
SCHEMBL1690495 0.82 TDP1 (0.49) TDP1RXRBNR1H4TP53THRB
SCHEMBL18291815 0.82 ALDH1A1 (0.56) RXRBMAPTALDH1A1KDM4EHTT
SCHEMBL11342078 0.80 CYP2C19 (0.49) TDP1RXRBNR1H4SMN1; SMN2ALDH1A1
SCHEMBL4791192 0.80 TDP1 (0.44) TDP1NR1H4SMN1; SMN2HDAC1MAPT
SCHEMBL1722083 0.80 ALDH1A1 (0.55) TDP1NR1H4HDAC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 TDP1 1385/4885RXRB 102/4885NR1H4 4055/4885

“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.