SCHEMBL3629047

SCHEMBL3629047

CC(C)c1ccccc1-c1cccc(-c2ccccc2C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
LMNA P02545 3/20 0.43
GABRB2 P47870 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
FAAH O00519 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL25391519 0.82 CA1 (0.36) GABRA1LMNAGABRB2CA1CA2
SCHEMBL30570367 0.82 CA1 (0.36) GABRA1LMNAGABRB2CA1CA2
SCHEMBL8776078 0.80 CYP1A2 (0.41) CYP1A2ATRUSP1WDR48
SCHEMBL8227726 0.79 KDM4E (0.50) GABRA1LMNAGABRB2CYP1A2HPGD
SCHEMBL13651233 0.79 NPC1 (0.50) LMNACYP1A2CYP3A4HPGDTSHR
SCHEMBL29414063 0.78 GABRA1 (0.55) GABRA1LMNAGABRB2CA1CA2
SCHEMBL167078 0.78 GABRA1 (0.55) GABRA1LMNAGABRB2CA1CA2
Ethane SCHEMBL27829996 0.78 KDM4E (0.48) GABRA1LMNAGABRB2CYP1A2HPGD
SCHEMBL29986460 0.78 KDM4E (0.48) GABRA1LMNAGABRB2CYP1A2HPGD
SCHEMBL22320325 0.78 GABRA1 (0.41) GABRA1LMNAGABRB2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP 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-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE MGAT2, MPST, MGAT1 GABRA1 1785/4885LMNA 4600/4885GABRB2 2378/4885

“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.