SCHEMBL18304538

SCHEMBL18304538

CC(C)COc1cc(CO)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.47
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
GCK P35557 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G2A P14555 1/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FABP1 P07148 1/20 0.41
XDH P47989 1/20 0.40
MAPK1 P28482 1/20 0.40
TARBP2 Q15633 1/20 0.39
KAT6A Q92794 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
FOS P01100 2/20 0.38
JUN P05412 2/20 0.38
CREBBP Q92793 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
SCHEMBL18304472 0.88 ALDH1A1 (0.44) NR1H4RARARARBRARGGCK
SCHEMBL17060023 0.87 NR1H4 (0.54) NR1H4RARARARBRARGGCK
SCHEMBL4276418 0.87 PLA2G2A (0.54) NR1H4RARARARBRARGGCK
SCHEMBL10068564 0.85 XDH (0.44) NR1H4RARARARBRARGGCK
SCHEMBL27584673 0.84 TPMT (0.52) NR1H4RARARARBRARGGCK
SCHEMBL14812140 0.81 RARA (0.49) NR1H4RARARARBRARGGCK
SCHEMBL1796030 0.81 KMT2A (0.51) RARARARBRARGGCKMEN1
SCHEMBL18304457 0.80 XDH (0.36) NR1H4RARARARBRARGGCK
SCHEMBL2176490 0.79 NR1H4 (0.48) NR1H4RARARARBRARGGCK
SCHEMBL57366 0.78 RXRA (0.47) MEN1KMT2ATSHRSMN1; SMN2MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2020-04-16 US disclosed
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof Basilea Pharmaceutica International AG (CH) 2019-11-05 US disclosed
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-06-28 US disclosed
EP-3307725-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-04-18 EP disclosed
WO-2016198691-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF BASILEA PHARMACEUTICA AG (CH) 2016-12-15 WO 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 (3 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-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 NR1H4 201/4885RARA 2328/4885RARB 2107/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 NR1H4 195/4885RARA 2321/4885RARB 2106/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 NR1H4 195/4885RARA 2321/4885RARB 2106/4885

“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.