SCHEMBL3501643

SCHEMBL3501643

COC(=O)c1ccc(NC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.69
KMT2A Q03164 4/20 0.64
TSHR P16473 2/20 0.64
POLB P06746 2/20 0.61
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 6/20 0.56
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3503625 0.88 TSHR (0.71) CYP2C19KMT2ATSHRPOLBALDH1A1
SCHEMBL730841 0.84 KMT2A (0.74) KMT2ATSHRPOLBRXFP1ALDH1A1
SCHEMBL10903940 0.84 TSHR (0.68) KMT2ATSHRPOLBRXFP1ALDH1A1
SCHEMBL10905952 0.82 ALDH1A1 (0.72) KMT2ATSHRPOLBRXFP1ALDH1A1
SCHEMBL10904584 0.81 ALDH1A1 (0.71) KMT2ATSHRPOLBRXFP1ALDH1A1
SCHEMBL728908 0.81 TSHR (0.65) KMT2ATSHRPOLBRXFP1ALDH1A1
SCHEMBL730827 0.81 TSHR (0.65) KMT2ATSHRPOLBRXFP1ALDH1A1
SCHEMBL728840 0.78 KMT2A (1.00) KMT2ATSHRPOLBALDH1A1HPGD
SCHEMBL10904612 0.77 TSHR (0.67) KMT2ATSHRPOLBRXFP1ALDH1A1
SCHEMBL9551946 0.75 MAPT (0.70) KMT2ATSHRPOLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2016-03-10 US disclosed
US-9234230-B2 Screening method and compounds for modulating telomerase activity THE WISTAR INSTITUTE (US) 2016-01-12 US disclosed
US-8377992-B2 TRBD-binding effectors and methods for using the same to modulate telomerase activity THE WISTAR INSTITUTE (US) 2013-02-19 US disclosed
US-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity THE WISTAR INSTITUTE (US) 2012-12-06 US disclosed
US-20100160260-A1 TRBD-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity THE WISTAR INSTITUTE 2010-06-24 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 (2 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-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity TERT, TERB1, TERF2 CYP2C19 4249/4885KMT2A 2921/4885TSHR 261/4885
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY TERT, TERB1, TERF2 CYP2C19 4249/4885KMT2A 2921/4885TSHR 261/4885

“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.