SCHEMBL3124384

SCHEMBL3124384

CCCCc1cccn1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CNR1 P21554 1/20 0.36
TBXAS1 P24557 1/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 2/20 0.34
TSHR P16473 1/20 0.34
HSD11B1 P28845 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AGTR1 P30556 1/20 0.34

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
Hydrochloric Acid SCHEMBL30212856 0.98 KMT2A (0.39) KMT2AALDH1A1POLBCNR2CYP2D6
Hydrochloric Acid SCHEMBL30212798 0.92 TLR8 (0.42) KMT2AALDH1A1POLBCYP2D6TBXAS1
SCHEMBL10514303 0.92 KMT2A (0.40) KMT2AALDH1A1POLBCNR2CYP2D6
Fluoride SCHEMBL30331081 0.91 CYP2D6 (0.41) KMT2AALDH1A1POLBCYP2D6TBXAS1
Hydrochloric Acid SCHEMBL30212797 0.91 CYP2D6 (0.41) KMT2AALDH1A1POLBCYP2D6TBXAS1
Hydrochloric Acid SCHEMBL30212651 0.91 CYP2D6 (0.41) KMT2AALDH1A1POLBCYP2D6TBXAS1
Hydrochloric Acid SCHEMBL30212630 0.91 CYP2D6 (0.41) KMT2AALDH1A1POLBCYP2D6TBXAS1
Hydrochloric Acid SCHEMBL30213064 0.91 CYP2D6 (0.41) KMT2AALDH1A1POLBCYP2D6TBXAS1
Fluoride SCHEMBL30330927 0.91 CYP2D6 (0.41) KMT2AALDH1A1POLBCYP2D6TBXAS1
Fluoride SCHEMBL30330580 0.91 CYP2D6 (0.41) KMT2AALDH1A1POLBCYP2D6TBXAS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530177-B2 Formation of α,β-unsaturated carboxylic acids and salts thereof from metalalactones and anionic polyelectrolytes CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2022-12-20 US disclosed
US-20210179525-A1 FORMATION OF ALPHA,BETA-UNSATURATED CARBOXYLIC ACIDS AND SALTS THEREOF FROM METALALACTONES AND ANIONIC POLYELECTROLYTES CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-06-17 US disclosed
WO-2010032603-A1 SEMICONDUCTOR DEVICE AND WIRELESS TAG USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-03-25 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-20210179525-A1 FORMATION OF ALPHA,BETA-UNSATURATED CARBOXYLIC ACIDS AND SALTS THEREOF FROM METALALACTONES AND ANIONIC POLYELECTROLYTES ME1, DEGS1, ACSL1 KMT2A 2295/4885ALDH1A1 353/4885POLB 361/4885
US-11530177-B2 Formation of α,β-unsaturated carboxylic acids and salts thereof from metalalactones and anionic polyelectrolytes ME1, ACSL1, ALOX12 KMT2A 2211/4885ALDH1A1 344/4885POLB 396/4885

“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.