SCHEMBL18704585

SCHEMBL18704585

CCCCOc1cc(Cl)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 2/20 0.42
GLA P06280 1/20 0.42
PTGES O14684 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
S1PR4 O95977 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5972769 0.91 MAPT (0.47) KDM4EGAAALDH1A1TDP1L3MBTL1
SCHEMBL3794601 0.83 L3MBTL1 (0.53) GAAALDH1A1TDP1L3MBTL1MEN1
SCHEMBL16555251 0.82 SLC6A4 (0.49) KDM4EGAAALDH1A1TDP1L3MBTL1
SCHEMBL4966497 0.81 SMN1; SMN2 (0.48) KDM4EGAAALDH1A1TDP1L3MBTL1
SCHEMBL17546739 0.81 ALDH1A1 (0.57) KDM4EGAAALDH1A1TDP1L3MBTL1
SCHEMBL15740410 0.81 SMN1; SMN2 (0.42) KDM4EALDH1A1TDP1L3MBTL1MEN1
SCHEMBL8361618 0.81 CA12 (0.44) GAAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30236658 0.81 SMN1; SMN2 (0.42) KDM4EALDH1A1TDP1L3MBTL1MEN1
SCHEMBL19559081 0.81 ALDH1A1 (0.37) KDM4EGAAALDH1A1TDP1L3MBTL1
SCHEMBL12441036 0.80 CYP1A2 (0.42) KDM4EGAAALDH1A1TDP1L3MBTL1

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-9994558-B2 Multicyclic compounds and methods of using same Karyopharm Therapeutics Inc. (US) 2018-06-12 US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 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-20170096417-A1 Multicyclic Compounds And Methods Of Using Same PAK4, PAK5, PAK1 KDM4E 611/4885GAA 2085/4885ALDH1A1 2231/4885

“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.