SCHEMBL25928571

SCHEMBL25928571

CC(C)(C)c1cc(Cc2ccccc2)cc(Br)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HMGCR P04035 2/20 0.43
RAB9A P51151 1/20 0.40
CALM1 P0DP23 1/20 0.40
GRN P28799 2/20 0.36
SORT1 Q99523 2/20 0.36
PTGS2 P35354 1/20 0.35
LMNA P02545 2/20 0.34
CYP2D6 P10635 1/20 0.34
LTA4H P09960 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
IDH1 O75874 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL25928587 0.87 HPGD (0.41) HPGDTSHRHMGCRRAB9AGRN
SCHEMBL25951738 0.83 TSHR (0.46) HPGDTSHRHMGCRRAB9AGRN
SCHEMBL25679799 0.77 CALM1 (0.44) TSHRCALM1LTA4HSMN1; SMN2HTT
SCHEMBL25928580 0.77 HMGCR (0.38) HMGCR
SCHEMBL25946252 0.75 MAOB (0.46) RAB9APTGS2LMNASMN1; SMN2MEN1
SCHEMBL25928579 0.74 HMGCR (0.38) HMGCR
SCHEMBL25928572 0.74 SYK (0.40) HPGDTSHRRAB9ALMNAMEN1
SCHEMBL25928598 0.73 THRB (0.41) HMGCR
SCHEMBL25946249 0.72 HSD17B10 (0.36) HMGCR
SCHEMBL25938655 0.72 HMGCR (0.45) HMGCR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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 (4 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH HPGD 115/4885TSHR 2042/4885HMGCR 1705/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH HPGD 85/4885TSHR 1662/4885HMGCR 1483/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH HPGD 85/4885TSHR 1662/4885HMGCR 1483/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH HPGD 965/4885TSHR 1357/4885HMGCR 789/4885

“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.