SCHEMBL19083722

SCHEMBL19083722

COC(=O)C1(NC(=O)c2ccc(OCc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.51
HDAC8 Q9BY41 2/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
G6PD P11413 1/20 0.45
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CTSK P43235 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
PPARG P37231 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL19075734 0.92 LPAR1 (0.46) LPAR1HDAC8LMNAHTTG6PD
SCHEMBL19075733 0.86 TTR (0.48) LPAR1LMNAG6PDMAPTHPGD
SCHEMBL19083773 0.81 LPAR1 (0.65) LPAR1HDAC8LMNAHTTMAPT
SCHEMBL19075727 0.80 LPAR1 (0.46) LPAR1LMNAHTTG6PDMAPT
SCHEMBL1808300 0.75 LPAR1 (0.87) LPAR1HDAC8
SCHEMBL19083771 0.74 HDAC8 (0.60) LPAR1HDAC8LMNAHTTMAPT
SCHEMBL14085366 0.73 LMNA (0.51) LMNAMAPTHPGDALDH1A1KMT2A
SCHEMBL17428532 0.72 HTT (0.63) LMNAHTTMAPTHPGDALDH1A1
SCHEMBL1811633 0.71 PDE4D (0.47) LPAR1RAB9ANPC1KMT2AHDAC1
SCHEMBL1810644 0.71 ALDH1A1 (0.52) LPAR1LMNAMAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 LPAR1 768/4885HDAC8 3496/4885LMNA 462/4885

“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.