SCHEMBL18065664

SCHEMBL18065664

CCOC(=O)C(CCc1ccccc1)(CCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
MMP8 P22894 1/20 0.49
PIN1 Q13526 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PPID Q08752 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL7613025 0.95 ALDH1A1 (0.46) ALDH1A1RECQLMMP8PIN1TAAR1
SCHEMBL7614875 0.94 ALDH1A1 (0.45) ALDH1A1RECQLMMP8PIN1TAAR1
SCHEMBL6938826 0.94 ALDH1A1 (0.47) ALDH1A1RECQLMMP8PIN1TAAR1
SCHEMBL18065668 0.93 ALDH1A1 (0.51) ALDH1A1RECQLMMP8PIN1TAAR1
SCHEMBL22666025 0.90 ALDH1A1 (0.49) ALDH1A1RECQLMMP8PIN1TAAR1
SCHEMBL7616395 0.89 ALDH1A1 (0.48) ALDH1A1RECQLMMP8PIN1TAAR1
SCHEMBL18065684 0.89 ALDH1A1 (0.55) ALDH1A1RECQLMMP8PIN1TAAR1
SCHEMBL11133472 0.85 PTPRC (0.46) ALDH1A1RECQLMMP8PIN1TAAR1
SCHEMBL11275037 0.85 PPARA (0.48) ALDH1A1RECQLMMP8PIN1TAAR1
SCHEMBL5556642 0.84 PPID (0.48) SMN1; SMN2MAPTL3MBTL1PPIDTDP1

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-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 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-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 ALDH1A1 1019/4885RECQL 158/4885MMP8 1647/4885

“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.