SCHEMBL2065796

SCHEMBL2065796

COc1c(C(C)(C)C)cc(I)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
PTGS1 P23219 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
TNFRSF1A P19438 2/20 0.39
DHFR P00374 1/20 0.38
ALOX15 P16050 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CA4 P22748 1/20 0.33

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
SCHEMBL351682 0.89 PTGS2 (0.39) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL482502 0.86 CA2 (0.45) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL699612 0.86 DHFR (0.37) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL6766393 0.81 MCL1 (0.41) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL703552 0.78 ALDH1A1 (0.59) PTGS2ALDH1A1TDP1TSHRALOX15
SCHEMBL5857102 0.78 ALDH1A1 (0.52) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL2947022 0.78 PTGS2 (0.47) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL22360314 0.78 CA1 (0.64) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL6668536 0.76 PTGS2 (0.46) PTGS2PTGS1ALDH1A1TDP1TSHR
SCHEMBL11743999 0.76 PTGS2 (0.46) PTGS2PTGS1ALDH1A1TDP1TSHR

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
EP-4257582-A1 FUEL CELL WITH POLYMER ELECTROLYTE MEMBRANE Hyundai Mobis Co., Ltd. (KR) 2023-10-11 EP disclosed
EP-4089097-A1 PREPARATION METHOD FOR AND APPLICATION OF CHIRAL SPIROCYCLIC PHOSPHINE-NITROGEN-PHOSPHINE TRIDENTATE LIGAND AND IRIDIUM CATALYST THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd (CN) 2022-11-16 EP disclosed
WO-2021139499-A1 PREPARATION METHOD FOR AND APPLICATION OF CHIRAL SPIROCYCLIC PHOSPHINE-NITROGEN-PHOSPHINE TRIDENTATE LIGAND AND IRIDIUM CATALYST THEREOF 浙江九洲药业股份有限公司 2021-07-15 WO disclosed
US-8148519-B2 Porphyrin-based photosensitizer dyes for dye-sensitized solar cells NATIONAL CHIAO TUNG UNIVERSITY (TW) 2012-04-03 US disclosed
US-20100125136-A1 PORPHYRIN-BASED PHOTOSENSITIZER DYES FOR DYE-SENSITIZED SOLAR CELLS DC SOLAR CORP. A TAIWAN CORPORATION (TW) 2010-05-20 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-20100125136-A1 PORPHYRIN-BASED PHOTOSENSITIZER DYES FOR DYE-SENSITIZED SOLAR CELLS DNAH12, SLC39A3, CRY1 PTGS2 4336/4885PTGS1 4505/4885ALDH1A1 2030/4885

“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.