SCHEMBL795618

SCHEMBL795618

C[S+](C)CCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.58
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
HTR1B P28222 2/20 0.52
HTR1D P28221 1/20 0.52
LTA4H P09960 4/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNA4 P43681 2/20 0.48
PKM P14618 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
Iodide SCHEMBL11288702 0.98 KCNA3 (0.56) KCNA3TAAR1ALDH1A1RECQLHTR1B
Hydrochloric Acid SCHEMBL11279783 0.98 KCNA3 (0.56) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL11283894 0.92 KCNA3 (0.50) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL11293367 0.84 KCNA3 (0.42) KCNA3TAAR1ALDH1A1RECQLHTR1B
Iodide SCHEMBL10982304 0.83 LMNA (0.50)
SCHEMBL12585293 0.83 KCNA3 (0.54) KCNA3TAAR1ALDH1A1RECQLHTR1B
Trifluoromethanesulfonic Acid SCHEMBL11286095 0.82 GPR3 (0.41) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL12923389 0.79 KCNA3 (0.50) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL11217465 0.79 HTT (0.45) ALDH1A1DRD2DRD4DRD3
SCHEMBL31540226 0.77 KCNA3 (0.58) KCNA3TAAR1ALDH1A1RECQLHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440384-B2 Compound, salt, and radiation-sensitive resin composition JSR CORPORATION (JP) 2013-05-14 US disclosed
US-20120070783-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND METHOD FOR FORMING RESIST PATTERN JSR CORPORATION (JP) 2012-03-22 US disclosed
US-8043786-B2 Acid generators, sulfonic acids, sulfonyl halides, and radiation sensitive resin compositions JSR CORPORATION (JP) 2011-10-25 US disclosed
US-20100324329-A1 COMPOUND JSR CORPORATION (JP) 2010-12-23 US disclosed
US-7812105-B2 Compound, polymer, and radiation-sensitive composition JSR CORPORATION (JP) 2010-10-12 US disclosed
US-20100255420-A1 RADIATION SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2010-10-07 US disclosed
US-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-09-02 US disclosed
US-20090069521-A1 Novel Compound, Polymer, and Radiation-Sensitive Composition JSR CORPORATION (JP) 2009-03-12 US disclosed
US-20070054214-A1 Acid generators, sulfonic acids, sulfonyl halides, and radiation sensitive resin compositions JSR CORPORATION (JP) 2007-03-08 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 (3 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-20100324329-A1 COMPOUND AFF2, AFF1, AFF4 KCNA3 89/4885TAAR1 1790/4885ALDH1A1 2783/4885
US-20090069521-A1 Novel Compound, Polymer, and Radiation-Sensitive Composition MRE11, RAD51, MRPS22 KCNA3 2722/4885TAAR1 3516/4885ALDH1A1 4458/4885
US-20100221659-A1 COMPOUND, SALT, AND RADIATION-SENSITIVE RESIN COMPOSITION AFF1, RER1, AFF4 KCNA3 3023/4885TAAR1 2055/4885ALDH1A1 3298/4885

“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.