SCHEMBL20139719

SCHEMBL20139719

Cc1cc(OCc2ccccc2)c(Br)cc1C(=O)c1ccc2c(c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGES O14684 1/20 0.42
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ABCB1 P08183 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL20139421 0.89 ABCB1 (0.51) RXRASMN1; SMN2MAPTHPGDKDM4E
SCHEMBL20140038 0.89 SMN1; SMN2 (0.43) RXRARXRBRXRGSMN1; SMN2HTR2A
SCHEMBL20139414 0.88 NPC1 (0.43) RXRARXRBRXRGSMN1; SMN2HTR2A
SCHEMBL20139487 0.81 ALDH1A1 (0.51) RXRAHTR2AHTR2CMAPTHPGD
SCHEMBL591616 0.81 FOLH1 (0.55) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL589425 0.80 TDP1 (0.56) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL590872 0.78 MCL1 (0.48) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL20139491 0.78 HTR2A (0.45) RXRARXRBRXRGSMN1; SMN2HTR2A
SCHEMBL28437033 0.77 SMPD1 (0.50) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL12659544 0.77 ALDH1A1 (0.49) RXRARXRBRXRGALDH1A1ABCB1

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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 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 (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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 RXRA 1181/4885RXRB 906/4885RXRG 1039/4885

“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.