SCHEMBL5513100

SCHEMBL5513100

c1ccc(SCC2CO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CRBN Q96SW2 1/20 0.41
CHRM2 P08172 5/20 0.40
CHRM4 P08173 5/20 0.40
CHRM5 P08912 5/20 0.40
CHRM1 P11229 5/20 0.40
CHRM3 P20309 5/20 0.40
FFAR1 O14842 1/20 0.39
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5143932 1.00 DRD4 (0.47) DRD4ALDH1A1MAPK1TDP1CRBN
SCHEMBL1402675 0.89 DRD4 (0.36) DRD4ALDH1A1TDP1CRBNCHRM2
SCHEMBL1402646 0.85 ALDH1A1 (0.41) DRD4ALDH1A1TDP1CRBNCHRM2
SCHEMBL10187441 0.84 TDP1 (0.47) DRD4ALDH1A1TDP1TSHRMAOA
SCHEMBL15700020 0.83 CHRM2 (0.40) DRD4ALDH1A1MAPK1TDP1CRBN
SCHEMBL1402587 0.83 DRD4 (0.34) DRD4ALDH1A1TDP1CRBNCHRM2
SCHEMBL83271 0.83 CHRM2 (0.40) DRD4ALDH1A1MAPK1TDP1CRBN
SCHEMBL1402349 0.80 TDP1 (0.41) DRD4ALDH1A1TDP1CRBNCHRM2
SCHEMBL25292616 0.79 ALDH1A1 (0.33) DRD4ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL10533009 0.79 CRBN (0.45) ALDH1A1CRBNMAOAMAOBNPC1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605937-B1 Antistatic resin composition DAISO CO LTD (JP) 1997-06-11 EP claimed
EP-0605937-A1 Antistatic resin composition DAISO CO., LTD. (JP) 1994-07-13 EP claimed
US-4246189-A FOR EASE OF MATERIALS HANDLING DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-01-20 US claimed
CN-115989217-A Composition, and optical material and lens using the same 三菱瓦斯化学株式会社 2023-04-18 CN disclosed
US-20210130316-A1 MORPHINAN DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME FOR TREATING AUTOIMMUNE, INFLAMMATION OR INFECTION RELATED DISORDERS TAIWANJ PHARMACEUTICALS CO., LTD (TW) 2021-05-06 US disclosed
EP-3565556-A1 MORPHINAN DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME FOR TREATING AUTOIMMUNE, INFLAMMATION OR INFECTION RELATED DISORDERS Taiwanj Pharmaceuticals Co., Ltd. (TW) 2019-11-13 EP disclosed
WO-2018128798-A1 MORPHINAN DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME FOR TREATING AUTOIMMUNE, INFLAMMATION OR INFECTION RELATED DISORDERS TAIWANJ PHARMACEUTICALS CO., LTD (TW) 2018-07-12 WO disclosed
CN-101910275-B Additive for polymerizable composition, polymerizable composition containing the same, and use of the polymerizable composition MITSUI CHEMICALS INC 2013-06-05 CN disclosed
CN-101910275-A Additive for polymerizable composition, polymerizable composition containing the same, and use of the polymerizable composition MITSUI CHEMICALS INC 2010-12-08 CN disclosed
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US disclosed
EP-0184257-B1 BENZOXAZOL- AND BENZOTHIAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-25 EP disclosed
EP-0354871-A2 Corrosion inhibition CIBA-GEIGY AG (CH) 1990-02-14 EP disclosed
US-4861785-A Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
EP-0184257-A1 Benzoxazol- and benzothiazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP disclosed
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed
US-4246189-A FOR EASE OF MATERIALS HANDLING DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-01-20 US disclosed
US-4059588-A RING CLOSURE ICI AUSTRALIA LIMITED (AU) 1977-11-22 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-20210130316-A1 MORPHINAN DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME FOR TREATING AUTOIMMUNE, INFLAMMATION OR INFECTION RELATED DISORDERS TLR4, TLR1, TLR3 DRD4 483/4885ALDH1A1 4594/4885MAPK1 359/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 DRD4 3589/4885ALDH1A1 4327/4885MAPK1 3122/4885

“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.