SCHEMBL23748726

SCHEMBL23748726

CCCCCOC(=O)c1cccc(OCCCCC)c1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
CYP3A4 P08684 3/20 0.60
MAPK1 P28482 3/20 0.60
TP53 P04637 1/20 0.60
ALDH1A1 P00352 7/20 0.58
LMNA P02545 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL23748666 0.86 MEN1 (0.52) CYP3A4LMNAKDM4EMAPTMEN1
SCHEMBL30173476 0.82 TSHR (0.78) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL3805742 0.82 TSHR (0.78) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6267333 0.80 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL7078029 0.80 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL17961072 0.80 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL2853795 0.80 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL12816232 0.80 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL5515133 0.80 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL9636466 0.80 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1

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 5 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
CN-113166024-A Aromatic compounds and their medical use 巴斯夫股份公司 2021-07-23 CN 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 1202/4885CYP3A4 132/4885MAPK1 3392/4885
US-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF GLS2, FFAR3, SLC10A1 TSHR 1202/4885CYP3A4 132/4885MAPK1 3392/4885

“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.