SCHEMBL7085697

SCHEMBL7085697

CC(C)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
HTR1D P28221 5/20 0.59
LTA4H P09960 3/20 0.58
PLA2G2A P14555 3/20 0.58
SLC6A4 P31645 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
POLB P06746 1/20 0.53
IMPDH2 P12268 1/20 0.51
HTR1A P08908 2/20 0.50
HTR1B P28222 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
GAA P10253 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49

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
SCHEMBL19234918 0.90 TRPM8 (0.57) TRPM8KDM4EMAPTHTR1DLTA4H
SCHEMBL23102828 0.89 IMPDH2 (0.61) TRPM8KDM4EMAPTHTR1DLTA4H
SCHEMBL38657787 0.87 HTR1D (0.61) TRPM8KDM4EMAPTHTR1DLTA4H
SCHEMBL28273019 0.85 TRPM8 (0.58) TRPM8KDM4EMAPTHTR1DLTA4H
SCHEMBL27370044 0.84 TRPM8 (0.52) TRPM8KDM4EMAPTHTR1DLTA4H
SCHEMBL15955985 0.83 HTR1D (0.51) TRPM8KDM4EMAPTHTR1DLTA4H
SCHEMBL5260125 0.83 HTR1D (0.58) TRPM8KDM4EMAPTHTR1DLTA4H
SCHEMBL6219955 0.82 TRPM8 (0.60) TRPM8KDM4EMAPTHTR1DLTA4H
SCHEMBL2004881 0.82 TRPM8 (0.64) TRPM8KDM4EMAPTHTR1DLTA4H
SCHEMBL19243092 0.82 LTA4H (0.69) TRPM8KDM4EMAPTHTR1DLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355110-A1 THYROID HORMONE RECEPTOR AGONISTS InventisBio Co., Ltd. (CN) 2021-11-18 US disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 TRPM8 1229/4885KDM4E 4110/4885MAPT 1353/4885
US-20210355110-A1 THYROID HORMONE RECEPTOR AGONISTS TSHR, THRA, TRHR TRPM8 3174/4885KDM4E 3510/4885MAPT 3701/4885

“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.