SCHEMBL817870

SCHEMBL817870

C=CCNCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 2/20 0.55
EPHX1 P07099 2/20 0.50
ADH1B P00325 2/20 0.50
ADH1C P00326 2/20 0.50
ADH1A P07327 2/20 0.50
ADH7 P40394 2/20 0.50
ADH4 P08319 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
KDM1A O60341 3/20 0.48
FAAH O00519 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL4552203 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7534332 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL6067910 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7540736 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7539638 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7540762 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7533182 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7535052 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL3261321 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7534941 1.00 TSHR (0.55) TSHRALDH1A1EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976362-B1 METHOD FOR MAKING OPAQUE COLORED SILICONE HYDROGEL CONTACT LENSES ALCON INC (CH) 2023-06-07 EP claimed
EP-1189622-B1 ANIONIC POLYMERS AS TOXIN BINDERS AND ANTIBACTERIAL AGENTS GENZYME CORP (US) 2007-07-25 EP claimed
EP-1800687-A2 Anionic polymers as toxin binders and antibacterial agents GENZYME CORPORATION (US) 2007-06-27 EP claimed
US-6890523-B2 Anionic polymers as toxin binders and antibacterial agents GENZYME CORPORATION (US) 2005-05-10 US claimed
EP-1014999-B1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GENZYME CORP (US) 2004-12-08 EP claimed
US-20030138397-A1 Anionic polymers as toxin binders and antibacterial agents GELTEX PHARMACEUTICALS, INC. 2003-07-24 US claimed
JP-2002544226-A 2002-12-24 JP claimed
EP-1189622-A2 ANIONIC POLYMERS AS TOXIN BINDERS AND ANTIBACTERIAL AGENTS Geltex Pharmaceuticals, Inc. (US) 2002-03-27 EP claimed
US-20010041171-A1 Anionic polymers as toxin binders GELTEX PHARMACEUTICALS, INC. (US) 2001-11-15 US claimed
US-6270755-B1 POLYMER COMPRISING PENDANT ACID FUNCTIONAL GROUPS OR A SALT THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE CATION, SAID POLYMER COMPRISING NO ACID ANHYDRIDE GROUPS. GELTEX PHARMACEUTICALS, INC. 2001-08-07 US claimed
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US claimed
WO-2000069428-A2 ANIONIC POLYMERS AS TOXIN BINDERS AND ANTIBACTERIAL AGENTS GELTEX PHARMACEUTICALS, INC. (US) 2000-11-23 WO claimed
EP-1014999-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 2000-07-05 EP claimed
US-6007803-A ADMINISTERING TO MAMMAL A CATIONIC POLYMER TO INHIBIT PATHOGENIC TOXINS GELTEX PHARMACEUTICALS, INC. (US) 1999-12-28 US claimed
WO-1999015186-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 1999-04-01 WO claimed
EP-0338507-A2 Use of mabuterol and related compounds for intraocular pressure adjustment Basotherm GmbH (DE) 1989-10-25 EP claimed
US-4644042-A USING WATER SOLUBLE FREE RADICAL POLYMERIZATION CATALYST NITTO BOSEKI CO., LTD. (JP) 1987-02-17 US claimed
EP-0173963-A2 Polymers of n-substituted secondary monoallylamines and their salts and process for producing the same NITTO BOSEKI CO., LTD. (JP) 1986-03-12 EP claimed
EP-3884019-B1 HOME CARE COMPOSITIONS COLGATE PALMOLIVE CO (US) 2025-09-03 EP disclosed
US-4256903-A REACTING SULFUR DIOXIDE AND CONJUGATED DIENES IN THE PRESENCE OF A MONO OR DI-ALKENYL AMINE PHILLIPS PETROLEUM COMPANY (US) 1981-03-17 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-20010041171-A1 Anionic polymers as toxin binders PIGS, CD47, BTD TSHR 734/4885ALDH1A1 4244/4885EPHX1 2573/4885
US-20030138397-A1 Anionic polymers as toxin binders and antibacterial agents MSN, ANTXR2, PNKP TSHR 1345/4885ALDH1A1 4470/4885EPHX1 2770/4885

“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.