SCHEMBL16585014

SCHEMBL16585014

Clc1cc(Br)ccc1OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
RECQL P46063 1/20 0.46
TP53 P04637 2/20 0.45
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PKM P14618 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
SCHEMBL1926867 0.84 RAB9A (0.47) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL29847389 0.83 ALDH1A1 (0.49) TSHRALDH1A1GLASMN1; SMN2HPGD
SCHEMBL2338368 0.83 ALDH1A1 (0.49) TSHRALDH1A1GLASMN1; SMN2HPGD
SCHEMBL7962015 0.83 ALDH1A1 (0.49) TSHRALDH1A1GLASMN1; SMN2HPGD
SCHEMBL7962011 0.83 ALDH1A1 (0.49) TSHRALDH1A1GLASMN1; SMN2HPGD
SCHEMBL30524198 0.83 ALDH1A1 (0.49) TSHRKMT2AMEN1ALDH1A1GLA
SCHEMBL4892470 0.83 ALDH1A1 (0.49) TSHRKMT2AMEN1ALDH1A1GLA
SCHEMBL9803136 0.82 ALDH1A1 (0.59) TSHRKMT2AMEN1ALDH1A1GLA
SCHEMBL4363233 0.81 ALDH1A1 (0.46) TSHRKMT2AMEN1ALDH1A1GLA
SCHEMBL21296293 0.81 ALDH1A1 (0.50) TSHRKMT2AMEN1ALDH1A1GLA

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 7 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-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
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 US disclosed
WO-2015042414-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USING SAME Karyopharm Therapeutics Inc. (US) 2015-03-26 WO disclosed
WO-2015042414-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USING SAME Karyopharm Therapeutics Inc. (US) 2015-03-26 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-20170096417-A1 Multicyclic Compounds And Methods Of Using Same PAK4, PAK5, PAK1 TSHR 4639/4885KMT2A 980/4885MEN1 481/4885

“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.