SCHEMBL17828200

SCHEMBL17828200

O=C(O)c1ccc(Oc2ccccc2Br)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PYGL P06737 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2588487 0.86 CA12 (0.53) TTRKDM4EHTTRAB9ALMNA
SCHEMBL3385089 0.84 HTT (0.62) KDM4EHTTLMNAALDH1A1CYP1A2
SCHEMBL14967500 0.84 TTR (0.55) TTRHTTRAB9AALDH1A1HPGD
SCHEMBL184391 0.81 TTR (0.70) TTRKDM4EAKR1C3MRGPRX4POLB
SCHEMBL30325795 0.79 PTPN1 (0.45) TTRKDM4EHTTRAB9ALMNA
SCHEMBL17828199 0.79 HPGD (0.45) KDM4EHTTLMNAALDH1A1CA12
SCHEMBL29038528 0.78 HTT (0.59) TTRKDM4EHTTRAB9ALMNA
SCHEMBL15924417 0.78 SRD5A2 (0.58) TTRCA1CA2
SCHEMBL17820180 0.78 TBXA2R (0.55) LMNAALDH1A1GAA
SCHEMBL31186537 0.78 TTR (0.59) TTRKDM4EHTTRAB9ALMNA

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-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 TTR 3862/4885KDM4E 2666/4885HTT 3547/4885

“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.