SCHEMBL31688134

SCHEMBL31688134

CCC(C)(C)c1ccc(-c2cc([PH](O)(O)O)c(C(C)(C)CC)c(-c3ccc(C(C)(C)CC)cc3)c2C(C)(C)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PTPN1 P18031 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
CNR2 P34972 5/20 0.32
CNR1 P21554 2/20 0.32

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
SCHEMBL29852852 0.77 PTPN1 (0.33) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL561906 0.77 PTPN1 (0.33) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL18092134 0.71 NPC1 (0.33) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL5552840 0.69 NPC1 (0.52) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL3292125 0.69 NPC1 (0.52) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL1160379 0.67 NPC1 (0.33) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL779443 0.66 NPC1 (0.58) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL29257220 0.66 MAPK1 (0.46) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL28651655 0.66 NPC1 (0.46) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL20408442 0.65 ESR1 (0.42) NPC1RAB9ALMNAMAPK1CASP3

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-20250296943-A1 AMINE-CONTAINING VINYLDISILOXANES IN THE MANUFACTURE OF ELASTOMERIC POLYMERS SYNTHOS DWORY 7 SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2025-09-25 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 (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-20250296943-A1 AMINE-CONTAINING VINYLDISILOXANES IN THE MANUFACTURE OF ELASTOMERIC POLYMERS VARS1, VCL, TYK2 NPC1 4855/4885RAB9A 3254/4885LMNA 1875/4885

“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.