SCHEMBL27199665

SCHEMBL27199665

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)NC1CCCCC1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
TP53 P04637 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
Hydrochloric Acid SCHEMBL27199711 0.99 BRD4 (0.30) BRD4CREBBPTP53
SCHEMBL4873780 0.81 LMNA (0.33) BRD4CREBBPTP53ALDH1A1LMNA
SCHEMBL27199727 0.80
SCHEMBL5608036 0.79 ALDH1A1 (0.34) BRD4CREBBPALDH1A1LMNAHPGD
SCHEMBL30915810 0.79
Hydrochloric Acid SCHEMBL27199724 0.79 TRPV1 (0.31)
SCHEMBL1455223 0.79 NPC1 (0.36) BRD4CREBBPTP53ALDH1A1LMNA
SCHEMBL2388282 0.77 NPC1 (0.35) BRD4CREBBPTP53LMNASMN1; SMN2
SCHEMBL29669907 0.75 NPC1 (0.32) BRD4CREBBPTP53LMNASMN1; SMN2
SCHEMBL16393539 0.74 PDK2 (0.31)

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-20240124618-A1 Asymmetric Constrained Geometry Catalysts EXXONMOBIL CHEMICAL PATENTS INC (US) 2024-04-18 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-20240124618-A1 Asymmetric Constrained Geometry Catalysts GNE, ESR1, PGR BRD4 3088/4885CREBBP 1216/4885TP53 1446/4885

“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.