SCHEMBL6784656

SCHEMBL6784656

C/C(=C/C(=O)Nc1cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.60
NR1H4 Q96RI1 6/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARG P37231 2/20 0.39
LTB4R Q15722 1/20 0.39
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
OPRM1 P35372 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DGAT1 O75907 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6786807 0.88 TERT (0.66) TERTNR1H4KDM4ELTB4RGABRB1
SCHEMBL6787684 0.88 TERT (0.68) TERTNR1H4KDM4EPPARGLTB4R
SCHEMBL6781639 0.86 TERT (0.66) TERTNR1H4KDM4EPPARGLTB4R
SCHEMBL6785410 0.86 TERT (0.68) TERTNR1H4KDM4EPPARGLTB4R
SCHEMBL4024701 0.86 TERT (0.68) TERTNR1H4KDM4EPPARGOPRM1
SCHEMBL6786535 0.85 TERT (0.67) TERTNR1H4KDM4EPPARGLTB4R
SCHEMBL6781449 0.85 TERT (0.67) TERTNR1H4KDM4EPPARGHDAC3
SCHEMBL6782056 0.84 TERT (0.71) TERTNR1H4KDM4EPPARGLTB4R
SCHEMBL6784618 0.84 TERT (0.64) TERTNR1H4KDM4EPPARGOPRM1
SCHEMBL6787604 0.84 TERT (0.64) TERTNR1H4KDM4EPPARGLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 US disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 TERT 1/4885NR1H4 3652/4885KDM4E 1243/4885

“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.