SCHEMBL4798982

SCHEMBL4798982

COOC(=O)c1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
LMNA P02545 3/20 0.34
F2 P00734 1/20 0.34
ALDH1A1 P00352 5/20 0.32
HSD17B10 Q99714 3/20 0.32
CFTR P13569 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 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
SCHEMBL51251 0.84 TSHR (0.48) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL129333 0.79 TSHR (0.55) TSHRLMNAALDH1A1HSD17B10KDM4E
SCHEMBL27464312 0.78 TSHR (0.42) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL8673620 0.78 TSHR (0.53) TSHRLMNAALDH1A1HSD17B10KDM4E
SCHEMBL130905 0.77 ALDH1A1 (0.58) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL27500893 0.77 TSHR (0.41) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL11727225 0.76 F2 (0.32) TSHRLMNAF2TDP1
SCHEMBL130469 0.76 PDCD1 (0.47) TSHRLMNAALDH1A1HSD17B10KDM4E
SCHEMBL2024418 0.76 ALDH1A1 (0.38) TSHRLMNAALDH1A1HSD17B10TDP1
SCHEMBL11281054 0.75 MAPT (0.47) LMNAALDH1A1TDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167102-A1 Isoprenoid analog compounds and methods of making and use thereof UNIVERSITY OF IOWA RESEARCH FOUNDATION. 2004-08-26 US claimed
US-6727234-B2 FOR BLOCKING PRENYLATION TRANSFERASE ENZYMES; ANTICANCER AGENTS; STABILITY UNIVERSITY OF IOWA RESEARCH FOUNDATION 2004-04-27 US claimed
US-20030022869-A1 Isoprenoid analog compounds and methods of making and use thereof UNIVERSITY OF IOWA RESEARCH FOUNDATION 2003-01-30 US claimed
US-7414048-B2 4,5-dihydro-isoxazole derivatives and their pharmaceutical use JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
US-20040167102-A1 Isoprenoid analog compounds and methods of making and use thereof UNIVERSITY OF IOWA RESEARCH FOUNDATION. 2004-08-26 US disclosed
US-6727234-B2 FOR BLOCKING PRENYLATION TRANSFERASE ENZYMES; ANTICANCER AGENTS; STABILITY UNIVERSITY OF IOWA RESEARCH FOUNDATION 2004-04-27 US disclosed
US-6583141-B1 T cell mediated rheumatic diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-24 US disclosed
US-20030022869-A1 Isoprenoid analog compounds and methods of making and use thereof UNIVERSITY OF IOWA RESEARCH FOUNDATION 2003-01-30 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-20030022869-A1 Isoprenoid analog compounds and methods of making and use thereof FNTA, RCE1, GGPS1 TSHR 3524/4885LMNA 611/4885F2 370/4885
US-20040167102-A1 Isoprenoid analog compounds and methods of making and use thereof FNTA, RCE1, GGPS1 TSHR 3524/4885LMNA 611/4885F2 370/4885

“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.