SCHEMBL3225192

SCHEMBL3225192

CC(Nc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KCNN4 O15554 3/20 0.42
MAPK1 P28482 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CTSD P07339 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL22432141 0.80 ABCG2 (0.43) TSHRHDAC3HDAC2HDAC6HDAC4
SCHEMBL28985008 0.80 ALDH1A1 (0.45) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL450601 0.80 MAPKAPK2 (0.46) TSHRKCNN4MAPK1HDAC3HDAC1
Hydrochloric Acid SCHEMBL8507149 0.78 MAPKAPK2 (0.45) TSHRKCNN4MAPK1HDAC3HDAC1
SCHEMBL7672445 0.76 TAAR1 (0.41) TSHRKCNN4MAPK1HDAC3HDAC1
SCHEMBL11783684 0.76 KCNN4 (0.44) TSHRKCNN4MAPK1HDAC3HDAC1
SCHEMBL14916526 0.76 ALDH1A1 (0.41) TSHRKCNN4MAPK1HDAC3HDAC1
SCHEMBL248960 0.76 TSHR (0.48) TSHRMAPK1HDAC3HDAC1HDAC2
SCHEMBL13258004 0.76 TSHR (0.48) TSHRMAPK1ALDH1A1ALOX15TDP1
SCHEMBL50034 0.76 TSHR (0.48) TSHRMAPK1ALDH1A1ALOX15TDP1

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
CN-115947711-B Photochemical caching agent and synthesis method thereof 上海泰辉生物科技有限公司 2024-06-11 CN disclosed
CN-115947714-B Synthesis method of photochemical caching agent 上海泰辉生物科技有限公司 2024-05-14 CN disclosed
CN-115947711-A Photochemical buffering agent and synthesis method thereof 上海泰辉生物科技有限公司 2023-04-11 CN disclosed
CN-115947714-A Method for synthesizing photochemical buffering agent 上海泰辉生物科技有限公司 2023-04-11 CN disclosed
US-8642812-B2 Frustrated Lewis pair compositions STEPHAN CONSULTING CORPORATION (CA) 2014-02-04 US disclosed
US-20130018207-A1 Frustrated Lewis Pair Compositions STEPHAN CONSULTING CORPORATION (CA) 2013-01-17 US disclosed
US-8299284-B2 Frustrated lewis pair compositions STEPHAN CONSULTING CORPORATION (CA) 2012-10-30 US disclosed
US-20100048949-A1 HYDROGEN SPLITTING COMPOSITION STEPHAN CONSULTING CORPORATION (CA) 2010-02-25 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-20130018207-A1 Frustrated Lewis Pair Compositions LPAR3, SSTR3, LPAR1 TSHR 26/4885KCNN4 2348/4885MAPK1 3375/4885
US-20100048949-A1 HYDROGEN SPLITTING COMPOSITION SSTR3, FFAR3, SSTR1 TSHR 20/4885KCNN4 3541/4885MAPK1 4153/4885

“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.