SCHEMBL23844179

SCHEMBL23844179

CCc1ccc(SN2CCC(C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.40
ACHE P22303 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 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
SCHEMBL21613839 0.91 HRH3 (0.39) HRH3SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL20172643 0.82 SMN1; SMN2 (0.41) HRH3SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL26242517 0.80 NPC1 (0.48) HRH3SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL23178944 0.76 HPGD (0.46) SMN1; SMN2ALDH1A1HPGDMAPTKDM4E
SCHEMBL21613782 0.74 EPHX2 (0.51) ALDH1A1HSD11B1MEN1KMT2ATSHR
SCHEMBL22537523 0.73 USP2 (0.54) HRH3SMN1; SMN2ALDH1A1MAPTACHE
SCHEMBL8252094 0.73 HRH3 (0.76) HRH3SMN1; SMN2ALDH1A1LMNAACHE
SCHEMBL21613806 0.72 DHCR7 (0.50) HRH3SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL22081174 0.71 THRB (0.46) HRH3ALDH1A1LMNAACHEKDM4E
SCHEMBL21613791 0.71 LMNA (0.41) HRH3SMN1; SMN2ALDH1A1LMNAHPGD

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
US-20220169631-A9 TAIRE FAMILY KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-02 US disclosed
US-20210292299-A1 TAIRE FAMILY KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-23 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 (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-20220169631-A9 TAIRE FAMILY KINASE INHIBITORS AND USES THEREOF CDK14, CDK16, CDK19 HRH3 3055/4885SMN1; SMN2 1196/4885ALDH1A1 4421/4885
US-20210292299-A1 TAIRE FAMILY KINASE INHIBITORS AND USES THEREOF CDK14, CDK16, CDK19 HRH3 3055/4885SMN1; SMN2 1196/4885ALDH1A1 4421/4885

“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.