SCHEMBL20901286

SCHEMBL20901286

CCCCCCC(C)(C)CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GNAO1 P09471 4/20 0.33
GNAI3 P08754 3/20 0.33
GNAI1 P63096 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL14098302 0.98 LTA4H (0.35) LTA4HKMT2AALDH1A1GNAO1GNAI3
SCHEMBL21119148 0.92 LTA4H (0.33) LTA4HKMT2AALDH1A1HRH3L3MBTL1
SCHEMBL26941906 0.85 GNAO1 (0.43) GNAO1GNAI3GNAI1
SCHEMBL24335467 0.85 GNAO1 (0.40) ALDH1A1GNAO1GNAI3GNAI1L3MBTL1
SCHEMBL22430288 0.85 GNAO1 (0.43) GNAO1GNAI3GNAI1
SCHEMBL26014660 0.84 NPC1 (0.35) ALDH1A1GNAO1GNAI3GNAI1KDM4E
SCHEMBL25005825 0.84 LTA4H (0.38) LTA4HKMT2AALDH1A1GNAO1GNAI3
SCHEMBL19506630 0.83 CNR1 (0.41) KMT2AALDH1A1HRH3MEN1TSHR
SCHEMBL19261397 0.83 CNR1 (0.41) KMT2AALDH1A1HRH3MEN1TSHR
SCHEMBL19255440 0.83 ATM (0.31) ALDH1A1HRH3TDP1

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-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US disclosed
US-10259785-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2019-04-16 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 (4 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R LTA4H 1033/4885KMT2A 2283/4885ALDH1A1 3264/4885
US-10259785-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 LTA4H 405/4885KMT2A 973/4885ALDH1A1 4490/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R LTA4H 1033/4885KMT2A 2283/4885ALDH1A1 3264/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 LTA4H 265/4885KMT2A 1661/4885ALDH1A1 2264/4885

“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.