SCHEMBL18891701

SCHEMBL18891701

CCCC(C)c1c(C)[nH]c(C)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 8/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NR4A2 P43354 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL18878423 0.80 NPSR1 (0.49) RAB9ANPC1NPSR1LMNAALDH1A1
SCHEMBL1126580 0.71 NPSR1 (0.51) RAB9ANPC1NPSR1LMNAALDH1A1
SCHEMBL1989883 0.71 LMNA (0.56) RAB9ANPC1NPSR1LMNAALDH1A1
SCHEMBL10717916 0.70 LMNA (0.56) RAB9ANPC1NPSR1LMNAALDH1A1
SCHEMBL17520292 0.69 NPSR1 (0.49) RAB9ANPC1NPSR1LMNAALDH1A1
SCHEMBL13488596 0.68 NPSR1 (0.66) RAB9ANPC1NPSR1LMNAALDH1A1
SCHEMBL8203695 0.68 NPSR1 (0.51) RAB9ANPC1NPSR1LMNAALDH1A1
SCHEMBL25804147 0.67 CYP1A2 (0.52) LMNAALDH1A1KMT2APOLBMAPT
SCHEMBL7290595 0.66 NPSR1 (0.53) RAB9ANPC1NPSR1LMNAALDH1A1
SCHEMBL7293758 0.66 LMNA (0.56) RAB9ANPC1NPSR1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 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 (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-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A RAB9A 2854/4885NPC1 3041/4885NPSR1 2941/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 RAB9A 1703/4885NPC1 1216/4885NPSR1 4717/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A RAB9A 2854/4885NPC1 3041/4885NPSR1 2941/4885

“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.