SCHEMBL3499475

SCHEMBL3499475

CC(C)(C)OC(=O)c1ccccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TSHR P16473 4/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
EGFR P00533 1/20 0.39
KCNA5 P22460 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 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
SCHEMBL951581 0.87 TSHR (0.46) LMNAL3MBTL1ALDH1A1TP53ADRA1A
SCHEMBL7675373 0.86 ALDH1A1 (0.42) LMNAALDH1A1NPC1RAB9AADRA1A
SCHEMBL4838670 0.84 ALDH1A1 (0.41) LMNAALDH1A1NPC1RAB9AADRA1A
SCHEMBL27670092 0.84 ALDH1A1 (0.41) LMNAL3MBTL1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL29024518 0.84 TSHR (0.43) LMNAL3MBTL1ALDH1A1TP53ADRA1A
SCHEMBL319240 0.84 ALDH1A1 (0.45) LMNAALDH1A1NPC1RAB9AADRA1A
SCHEMBL30736662 0.84 ALDH1A1 (0.45) LMNAALDH1A1NPC1RAB9AADRA1A
SCHEMBL16940008 0.84 ALDH1A1 (0.41) LMNAALDH1A1NPC1RAB9AADRA1A
SCHEMBL23971380 0.83 MRGPRX4 (0.39) NPC1RAB9ATP53ADRA1AADRA1B
SCHEMBL30411094 0.83 MRGPRX4 (0.39) NPC1RAB9ATP53ADRA1AADRA1B

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
CN-112119082-A Pyrrolobenzodiazepines and conjugates thereof 免疫医疗有限公司 2020-12-22 CN disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 LMNA 4645/4885GAA 4620/4885HPGD 1550/4885

“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.