SCHEMBL7869865

SCHEMBL7869865

C=Cc1c(C)cccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA5A P35218 1/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 3/20 0.43
ATM Q13315 1/20 0.43
MYC P01106 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
ALOX15 P16050 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL22481046 0.89 TSHR (0.52) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL17146037 0.84 CA1 (0.43) NR4A2LMNATSHRALDH1A1FFAR4
SCHEMBL7860403 0.84 LMNA (0.41) NR4A2LMNATSHRALDH1A1CFTR
SCHEMBL5047779 0.83 LMNA (0.46) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL26162753 0.83 KDM4E (0.47) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL16953271 0.83 LMNA (0.46) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL6237544 0.83 LMNA (0.46) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL11852148 0.82 CYP3A4 (0.44) ALDH1A1HSD17B10KDM4EPOLBMYC
SCHEMBL357340 0.80 ALDH1A1 (0.55) LMNATSHRALDH1A1HSD17B10KDM4E
SCHEMBL31338864 0.80 ALDH1A1 (0.55) LMNATSHRALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
EP-3860714-B1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS INC (US) 2023-09-06 EP disclosed
US-20200102317-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2020-04-02 US disclosed
US-6303593-B1 FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS MERCK & CO., INC. 2001-10-16 US disclosed
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO 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-11834456-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A NR4A2 1852/4885LMNA 769/4885TSHR 2253/4885
US-20200102317-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, SCN3A NR4A2 2940/4885LMNA 867/4885TSHR 2732/4885

“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.