SCHEMBL24243100

SCHEMBL24243100

COc1ccc2cc(C(C)(C)Cc3ccc4cc(C(C)(C)C)ccc4c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
CCR9 P51686 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2627140 0.83 CYP2A6 (0.56) AKR1C3AKR1C2CCR9CYP1A2NPC1
SCHEMBL12251344 0.80 CYP1A2 (0.57) AKR1C3AKR1C2CCR9CYP1A2NPC1
SCHEMBL14281441 0.79 PTGS1 (0.54) PTGS1AKR1C3AKR1C2CYP1A2CYP3A4
SCHEMBL13262555 0.77 CYP1A2 (0.48) PTGS1AKR1C3AKR1C2CYP1A2NPC1
SCHEMBL19955147 0.77 ESR1 (0.53) CYP1A2CYP3A4NPC1RAB9ALMNA
SCHEMBL20802198 0.77 LMNA (0.42) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL18798722 0.77 MAPT (0.46) CYP1A2CYP3A4NPC1RAB9ALMNA
SCHEMBL28827356 0.76 CYP1A2 (0.52) PTGS1AKR1C3AKR1C2CYP1A2CYP3A4
SCHEMBL21676907 0.75 TSHR (0.37) CCR9CYP2C19
SCHEMBL24383957 0.75 ESR1 (0.59) CYP3A4NPC1RAB9ALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2022-02-10 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 (1 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-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X MCL1, HSPA9, USP10 PTGS1 3345/4885AKR1C3 4619/4885AKR1C2 4490/4885

“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.