SCHEMBL21323940

SCHEMBL21323940

COc1ccc(CC(C)Cc2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.62
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
LDHA P00338 1/20 0.53
IDO1 P14902 2/20 0.48
POLB P06746 1/20 0.46
AOC3 Q16853 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
AGXT P21549 1/20 0.45
LTA4H P09960 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL104850 0.94 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Ammonia Solution, Strong SCHEMBL8170665 0.91 SLC6A4 (0.67) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Iodide SCHEMBL28694313 0.89 SLC6A4 (0.64) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Bromide SCHEMBL28700903 0.89 SLC6A4 (0.64) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Hydrochloric Acid SCHEMBL28699626 0.89 SLC6A4 (0.64) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13719143 0.88 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL19865658 0.88 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL20781017 0.84 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13623704 0.83 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL6017470 0.83 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

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-20190270726-A1 PRODUCTS OF CHIRAL SYNTHESIS OF CIS-IMIDAZOLINE COMPOUNDS AND THEIR USE UNITY BIOTECHNOLOGY, INC. 2019-09-05 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-20190270726-A1 PRODUCTS OF CHIRAL SYNTHESIS OF CIS-IMIDAZOLINE COMPOUNDS AND THEIR USE MDM2, CDKN1A, TP53 SLC6A4 4631/4885CYP1A2 927/4885CYP2D6 2680/4885

“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.