SCHEMBL21164464

SCHEMBL21164464

C=CNCC(CC)CCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TSHR P16473 5/20 0.59
CYP3A4 P08684 5/20 0.59
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.38
CA2 P00918 2/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL23618019 0.87 TSHR (0.41) ALDH1A1TSHRCYP3A4
SCHEMBL3971997 0.81 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL25159188 0.80 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL79568 0.79 TSHR (0.65) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL28138798 0.79 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL8762270 0.79 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL28284146 0.76 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL7100185 0.76 TSHR (0.67) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL28228553 0.76 TSHR (0.55) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL16335203 0.76 TSHR (0.67) ALDH1A1TSHRCYP3A4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
US-10355221-B2 Heterocyclic compound and organic solar cell comprising the same LG CHEM, LTD. (KR) 2019-07-16 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 (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-10355221-B2 Heterocyclic compound and organic solar cell comprising the same SUN2, CRY1, STOM ALDH1A1 1187/4885TSHR 4603/4885CYP3A4 708/4885

“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.