SCHEMBL20710063

SCHEMBL20710063

CCCCC(C)CCCCCCN

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TSHR P16473 1/20 0.57
EPHX1 P07099 1/20 0.57
ACE2 Q9BYF1 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46
OPRM1 P35372 1/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL19103054 1.00 DNM1 (0.57) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3626123 1.00 DNM1 (0.57) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3624962 1.00 DNM1 (0.57) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL11028322 0.97 DNM1 (0.52) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL24107253 0.95 DNM1 (0.65) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL1164952 0.95 DNM1 (0.65) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL1688008 0.95 DNM1 (0.65) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL20017999 0.95 DNM1 (0.65) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3620472 0.95 DNM1 (0.65) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3617767 0.95 DNM1 (0.65) DNM1ALDH1A1MEN1KMT2ATSHR

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-20220002730-A1 OLIGONUCLEOTIDE INHIBITORS OF NUCLEAR FACTOR KAPPA-LIGHT-CHAIN-ENHANCER OF ACTIVATED B CELLS AND THE USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-06 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20200061055-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2020-02-27 US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 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-20220002730-A1 OLIGONUCLEOTIDE INHIBITORS OF NUCLEAR FACTOR KAPPA-LIGHT-CHAIN-ENHANCER OF ACTIVATED B CELLS AND THE USES THEREOF NFKBIA, IKBKB, NFRKB DNM1 3013/4885ALDH1A1 4651/4885MEN1 4750/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR DNM1 1910/4885ALDH1A1 1448/4885MEN1 3871/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR DNM1 1910/4885ALDH1A1 1448/4885MEN1 3871/4885
US-20200061055-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SCD, SCD5, CPT1B DNM1 1277/4885ALDH1A1 255/4885MEN1 1225/4885

“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.