SCHEMBL814388

SCHEMBL814388

Cc1cc(C(C)C)c(NCCNCCNc2c(C(C)C)cc(C)cc2C(C)C)c(C(C)C)c1.[Fe]

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.33
MAPT P10636 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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 SCHEMBL813869 0.96 CARM1 (0.33) CARM1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL814374 0.96 CARM1 (0.33) CARM1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL814871 0.96 CARM1 (0.33) CARM1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL812674 0.96 CARM1 (0.33) CARM1MAPTCYP1A2CYP3A4CYP2D6
Bromide SCHEMBL813226 0.94 CARM1 (0.32) CARM1
Hydrochloric Acid SCHEMBL813489 0.94 CARM1 (0.32) CARM1
Hydrochloric Acid SCHEMBL813768 0.94 CARM1 (0.32) CARM1
Hydrochloric Acid SCHEMBL814078 0.94 CARM1 (0.32) CARM1
Hydrochloric Acid SCHEMBL813911 0.94 CARM1 (0.32) CARM1
Bromide SCHEMBL813884 0.88 RAPGEF4 (0.35) CARM1

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 CARM1 2036/4885MAPT 1902/4885CYP1A2 1139/4885

“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.