SCHEMBL17028004

SCHEMBL17028004

CCCCCCN.C[PH](=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.65
TSHR P16473 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 1/20 0.65
EPHX1 P07099 1/20 0.65
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
GABBR2 O75899 1/20 0.41
GABRR1 P24046 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
PAOX Q6QHF9 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL21271991 0.97 DNM1 (0.60) DNM1TSHRMEN1KMT2AALDH1A1
Octadecylamine SCHEMBL15768529 0.92 DNM1 (0.68) DNM1TSHRMEN1KMT2AALDH1A1
Hexadecylamine SCHEMBL28888789 0.92 DNM1 (0.68) DNM1TSHRMEN1KMT2AALDH1A1
Dodecylamine SCHEMBL29220059 0.90 DNM1 (0.65) DNM1TSHRMEN1KMT2AALDH1A1
Phosphonic Acid SCHEMBL9574278 0.90 DNM1 (0.63) DNM1TSHRMEN1KMT2AALDH1A1
Phosphonic Acid SCHEMBL28320519 0.87 DNM1 (0.60) DNM1TSHRMEN1KMT2AALDH1A1
Phosphonic Acid SCHEMBL27968007 0.87 DNM1 (0.60) DNM1TSHRMEN1KMT2AALDH1A1
Dodecylamine SCHEMBL28686744 0.84 DNM1 (0.56) DNM1TSHRMEN1KMT2AALDH1A1
Hexane SCHEMBL27917791 0.84 TSHR (0.47) TSHRMEN1KMT2AALDH1A1
Butylamine SCHEMBL3361661 0.81

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
WO-2015126930-A2 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS STC.UNM (US) 2015-08-27 WO claimed
US-20180296505-A1 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS STC UNM (US) 2018-10-18 US disclosed
US-20170056345-A1 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS STC.UNM 2017-03-02 US disclosed
WO-2015126930-A2 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS STC.UNM (US) 2015-08-27 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 (2 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-20180296505-A1 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS TREH, ACHE, UMPS DNM1 4559/4885TSHR 2580/4885MEN1 4058/4885
US-20170056345-A1 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS TREH, ACHE, UMPS DNM1 4559/4885TSHR 2580/4885MEN1 4058/4885

“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.