SCHEMBL3077555

SCHEMBL3077555

CC1(C)OC(=O)C(C(C#Cc2ccccc2)c2ccc(Br)cc2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PPARD Q03181 2/20 0.32
POLB P06746 1/20 0.32
HSD11B1 P28845 1/20 0.31
PYCR1 P32322 1/20 0.31
GRM5 P41594 2/20 0.31
IDH1 O75874 1/20 0.31
FFAR1 O14842 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
SCHEMBL3077551 1.00 MDM2 (0.36) MDM2ALDH1A1LMNAL3MBTL1CYP3A4
SCHEMBL3080913 0.91 ALDH1A1 (0.36) ALDH1A1LMNACYP3A4MAPTCYP2C9
SCHEMBL3080910 0.91 ALDH1A1 (0.36) ALDH1A1LMNACYP3A4MAPTCYP2C9
SCHEMBL3083475 0.85 GLA (0.43) ALDH1A1L3MBTL1CYP3A4MAPTCYP2C9
SCHEMBL3083480 0.85 GLA (0.43) ALDH1A1L3MBTL1CYP3A4MAPTCYP2C9
SCHEMBL3071476 0.81 ACP3 (0.35) ALDH1A1LMNACYP3A4MAPTCYP2C9
SCHEMBL3071473 0.81 ACP3 (0.35) ALDH1A1LMNACYP3A4MAPTCYP2C9
SCHEMBL3080367 0.79 HPGD (0.39) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3080368 0.79 HPGD (0.39) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3078902 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPTCYP2C9HPGD

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-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 MDM2 1277/4885ALDH1A1 2507/4885LMNA 3973/4885

“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.