SCHEMBL127323

SCHEMBL127323

OC(c1c[c]ccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.43
NR1H3 Q13133 14/20 0.43
AR P10275 1/20 0.38
MLYCD O95822 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10706522 0.81 NR1H2 (0.32) NR1H2NR1H3ARALOX15TSHR
SCHEMBL2093927 0.80 ALDH1A1 (0.33) TSHR
SCHEMBL17103539 0.80 ALDH1A1 (0.33) TSHR
SCHEMBL3371 0.79 TSHR (0.48) TSHRMAPK1
Water SCHEMBL27821326 0.79 TSHR (0.48) TSHRMAPK1
Benzene SCHEMBL8005754 0.77 TSHR (0.52) MEN1TSHRMAPK1KMT2A
SCHEMBL28824905 0.77 TSHR (0.46) TSHRMAPK1
SCHEMBL3891340 0.77 TSHR (0.46) TSHRMAPK1
SCHEMBL20526431 0.77 TSHR (0.46) TSHRMAPK1
SCHEMBL3890730 0.77 TSHR (0.46) TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437096-A Spiro-heterocyclic compound, and preparation method and application thereof 上海医药集团股份有限公司 2022-05-06 CN disclosed
US-8658346-B2 Pattern forming process, chemically amplified positive resist composition, and resist-modifying composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-25 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
US-8329384-B2 Resist-modifying composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20110033799-A1 PATTERN FORMING PROCESS, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND RESIST-MODIFYING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-10 US disclosed
US-20100297563-A1 RESIST-MODIFYING COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-25 US disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 NR1H2 857/4885NR1H3 1338/4885AR 1994/4885

“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.