SCHEMBL23748614

SCHEMBL23748614

CCCCCN(CCCCC)c1cccc(C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 2/20 0.42
IDO1 P14902 1/20 0.42
TSHR P16473 2/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PAX8 Q06710 2/20 0.38
JAK2 O60674 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL23748650 0.87 KDM4E (0.41) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL3784268 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL5862952 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL9303599 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL23748634 0.84 RIPK1 (0.43) ALDH1A1TP53TSHRKMT2AMAPK1
SCHEMBL11522678 0.82 TP53 (0.45) ALDH1A1KDM4EPOLBTP53TSHR
Hexane SCHEMBL27656302 0.82 TSHR (0.50) ALDH1A1KDM4ETP53TSHRCA12
SCHEMBL3691710 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL27676199 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRCA12CA9
Heptane SCHEMBL28015335 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRCA12CA9

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 ALDH1A1 530/4885KDM4E 1204/4885POLB 3446/4885
US-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF GLS2, FFAR3, SLC10A1 ALDH1A1 530/4885KDM4E 1204/4885POLB 3446/4885

“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.