SCHEMBL16355406

SCHEMBL16355406

Oc1c(-c2c(F)c(F)c(F)c(F)c2F)cccc1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
RECQL P46063 2/20 0.35
ADAMTS4 O75173 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA6 P23280 1/20 0.35
CDK2 P24941 1/20 0.35
MMP12 P39900 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
Propane SCHEMBL28944680 0.81 ALB (0.37) CA1CA2CA7CA9HDAC2
SCHEMBL29242798 0.80 ERN1 (0.58) TDP1LMNACA1CA2MAPT
SCHEMBL6402122 0.78 ANPEP (0.31) CA1CA2CA7CA9
SCHEMBL25223032 0.77 MEN1 (0.35) MAOAALDH1A1ALOX15TDP1LMNA
SCHEMBL669336 0.77 ALDH1A1 (0.48) MAOAALDH1A1HPGDALOX15HSD17B10
SCHEMBL18043678 0.77 ERN1 (0.35) ERN1
SCHEMBL5948449 0.77 HSD17B14 (0.41) MAOAALDH1A1HPGDALOX15HSD17B10
SCHEMBL20942953 0.75 CA2 (0.31) CA2
SCHEMBL16222498 0.74 ACHE (0.33) TSHRCYP3A4
SCHEMBL21248628 0.74 CA1 (0.33) MAOAALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702520-A Vanadium complex catalyst containing large steric hindrance phenol oxygen ligand and preparation method and application thereof 合肥工业大学 2022-07-05 CN claimed
EP-3749674-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-16 EP claimed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US claimed
WO-2019157376-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-15 WO claimed
CN-114702520-A Vanadium complex catalyst containing large steric hindrance phenol oxygen ligand and preparation method and application thereof 合肥工业大学 2022-07-05 CN disclosed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US disclosed
US-9441059-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed
US-9441059-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed
US-20140378637-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL SCIENCE FOUNDATION 2014-12-25 US disclosed
US-20140378637-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL SCIENCE FOUNDATION 2014-12-25 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-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MSRB3, MMAB, CYB5R3 MAOA 941/4885ALDH1A1 1160/4885HPGD 1439/4885

“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.