SCHEMBL718911

SCHEMBL718911

C=C(C)C(=O)NC(CC(C)(C)Sc1ccccc1)(CC(C)(C)Sc1ccccc1)CC(C)(C)Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
POLB P06746 3/20 0.35
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 2/20 0.31
MAPK1 P28482 2/20 0.31
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RIPK1 Q13546 1/20 0.31
FFAR1 O14842 1/20 0.31
GAA P10253 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL717688 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL719269 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL718998 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL720974 0.73 POLB (0.39) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL717755 0.69 MAPT (0.38) ALDH1A1KDM4ECYP3A4CYP2C19SMN1; SMN2
SCHEMBL285591 0.69 TDP1 (0.41) ALDH1A1MTNR1AMTNR1BPOLBHPGD
SCHEMBL717491 0.69 MTNR1A (0.38) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL10351871 0.69 ALDH1A1 (0.37) ALDH1A1POLBCYP3A4HPGDSMN1; SMN2
SCHEMBL720462 0.68 ELANE (0.35) ALDH1A1MTNR1AMTNR1BPOLBHPGD
Barium SCHEMBL2729092 0.67 ALDH1A1 (0.36) ALDH1A1POLBCYP3A4HPGDSMN1; SMN2

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-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ ALDH1A1 3560/4885KDM4E 1751/4885MTNR1A 4207/4885

“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.