SCHEMBL23748722

SCHEMBL23748722

CCCCCOC(=O)c1cc(OCCCCC)cc(OCCCCC)c1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
ESR1 P03372 2/20 0.47
PLA2G2A P14555 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44

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
SCHEMBL23748612 0.85 PLA2G2A (0.56) TSHRTP53PLA2G2A
SCHEMBL5090283 0.84 PLA2G2A (0.59) TSHRTP53PLA2G2A
SCHEMBL5095051 0.84 PLA2G2A (0.59) TSHRTP53PLA2G2A
SCHEMBL11049569 0.84 PLA2G2A (0.59) TSHRTP53PLA2G2A
SCHEMBL11333568 0.80 TSHR (0.59) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL14440035 0.79 TSHR (0.60) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL11337110 0.78 TSHR (0.56) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL14091969 0.78 PLA2G2A (0.51) TSHRTP53ESR1PLA2G2A
SCHEMBL23748659 0.77 ALDH1A1 (0.68) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL18417204 0.76 TSHR (0.65) TSHRTP53CYP3A4MAPK1ALDH1A1

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-12473249-B2 Aromatic compounds and pharmaceutical uses thereof BASF AS (NO) 2025-11-18 US disclosed
US-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-12-09 US disclosed
US-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-12-09 US disclosed
EP-3864001-A1 ROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-08-18 EP 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-12473249-B2 Aromatic compounds and pharmaceutical uses thereof GLS2, FFAR3, SLC10A1 TSHR 1202/4885TP53 2379/4885CYP3A4 132/4885
US-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF GLS2, FFAR3, SLC10A1 TSHR 1202/4885TP53 2379/4885CYP3A4 132/4885

“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.