SCHEMBL4517384

SCHEMBL4517384

CCOC(=O)CC1CCN(C(=O)c2cc(C(=O)OCC)ccc2OCCCc2ccc(OCCCCOc3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.46
RECQL P46063 1/20 0.41
TSHR P16473 2/20 0.40
YAP1 P46937 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LTA4H P09960 4/20 0.39
PPARG P37231 2/20 0.39
CHRM2 P08172 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL4518834 0.92 CYSLTR2 (0.46) CYSLTR2POLBMEN1KMT2ALTA4H
SCHEMBL4517382 0.91 TSHR (0.41) CYSLTR2RECQLTSHRYAP1NPC1
SCHEMBL13918480 0.91 CYSLTR2 (0.46) CYSLTR2TSHRNPC1ALDH1A1RAB9A
SCHEMBL4516413 0.85 CYSLTR2 (0.56) CYSLTR2RECQLYAP1NPC1HPGD
SCHEMBL13918518 0.83 TSHR (0.56) CYSLTR2TSHRNPC1ALDH1A1RAB9A
SCHEMBL4526325 0.82 CYSLTR2 (0.49) CYSLTR2TSHRNPC1ALDH1A1RAB9A
SCHEMBL4510798 0.81 CYSLTR2 (0.53) CYSLTR2ALDH1A1POLBMEN1KMT2A
SCHEMBL13918237 0.81 MAPT (0.50) RECQLTSHRNPC1ALDH1A1RAB9A
SCHEMBL4516364 0.80 CYSLTR2 (0.53) CYSLTR2RECQLTSHRNPC1ALDH1A1
SCHEMBL4522253 0.80 CYSLTR2 (0.64) CYSLTR2RECQLNPC1ALDH1A1RAB9A

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-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A CYSLTR2 1426/4885RECQL 2021/4885TSHR 2943/4885

“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.