SCHEMBL814561

SCHEMBL814561

CC(C)c1cccc(C(C)C)c1NCCNCCNc1c(C(C)C)cccc1C(C)C.[Mn]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
LMNA P02545 3/20 0.40
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
HTR2B P41595 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL815486 0.96 SMN1; SMN2 (0.47) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
SCHEMBL813603 0.96 SMN1; SMN2 (0.47) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
SCHEMBL814210 0.96 SMN1; SMN2 (0.47) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
SCHEMBL814946 0.96 SMN1; SMN2 (0.47) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
Hydrochloric Acid SCHEMBL814339 0.94 SMN1; SMN2 (0.46) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
Hydrochloric Acid SCHEMBL814535 0.94 SMN1; SMN2 (0.46) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
Hydrochloric Acid SCHEMBL813075 0.94 SMN1; SMN2 (0.46) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
Hydrochloric Acid SCHEMBL814002 0.94 SMN1; SMN2 (0.46) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
Hydrochloric Acid SCHEMBL813947 0.94 SMN1; SMN2 (0.46) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
Hydrochloric Acid SCHEMBL813347 0.94 SMN1; SMN2 (0.46) SMN1; SMN2GABRA1GABRG2GABRB3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US claimed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US claimed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US claimed
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX SMN1; SMN2 1110/4885GABRA1 4178/4885GABRG2 2523/4885

“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.