SCHEMBL3797966

SCHEMBL3797966

CCC(C)c1cccc2ccoc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL26864180 1.00 TSHR (0.44) TSHRMEN1NPC1CYP1A2CYP3A4
SCHEMBL3795346 0.81 GABRA1 (0.41) TSHRMEN1NPC1CYP1A2CYP3A4
SCHEMBL31561735 0.81 LMNA (0.37) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8402802 0.78 MEN1 (0.35) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL24312374 0.78 MEN1 (0.36) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL16855175 0.78 CYP1A2 (0.36) TSHRMEN1NPC1CYP1A2CYP3A4
SCHEMBL30701213 0.78 CYP1A2 (0.36) TSHRMEN1NPC1CYP1A2CYP3A4
SCHEMBL20511633 0.78 CYP1A2 (0.41) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL16844552 0.78 CYP1A2 (0.36) TSHRMEN1NPC1CYP1A2CYP3A4
SCHEMBL26462986 0.78 MEN1 (0.36) MEN1NPC1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-30 US disclosed
US-7989137-B2 Resist composition and pattern-forming method using the same FUJIFILM CORPORATION (JP) 2011-08-02 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20090087789-A1 RESIST COMPOSITION AND PATTERN-FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF KDM5A, KDM5B, KDM5C TSHR 4103/4885MEN1 2994/4885NPC1 4778/4885

“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.