SCHEMBL23458987

SCHEMBL23458987

C[C@]1(O)CCN(C(=O)O)[C@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
LMNA P02545 1/20 0.40
ABCB1 P08183 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
ELANE P08246 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK14 Q16539 1/20 0.38
TACR3 P29371 1/20 0.38
CYP2D6 P10635 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
SCHEMBL23458984 1.00 ALDH1A1 (0.42) ALDH1A1HSD17B10TMEM97SIGMAR1LMNA
SCHEMBL28485250 0.88 ALDH1A1 (0.42) ALDH1A1HSD17B10TMEM97SIGMAR1LMNA
SCHEMBL25698141 0.84 PSEN1 (0.50) KMT2AMEN1CYP2C19
SCHEMBL29997810 0.84 PSEN1 (0.50) KMT2AMEN1CYP2C19
SCHEMBL29998143 0.83 NR1H2 (0.45)
SCHEMBL1420940 0.82 AGTR2 (0.40)
SCHEMBL5104471 0.78 ABCB1 (0.43) ALDH1A1HSD17B10TMEM97SIGMAR1LMNA
SCHEMBL3849131 0.75 DPP4 (0.41) ALDH1A1
SCHEMBL1189045 0.75 ABCB1 (0.42) ALDH1A1HSD17B10ABCB1KMT2AMEN1
SCHEMBL28474415 0.74 ABCB1 (0.42) ALDH1A1LMNAABCB1KMT2AMEN1

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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 US disclosed
WO-2021113506-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2021-06-10 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 ALDH1A1 4039/4885HSD17B10 2963/4885TMEM97 3361/4885
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 ALDH1A1 4039/4885HSD17B10 2963/4885TMEM97 3361/4885

“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.