SCHEMBL909932

SCHEMBL909932

O=C(CC(/C=C/c1ccccc1)SCCO)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
PLIN1 O60240 1/20 0.38
BCHE P06276 1/20 0.38
TNFRSF1A P19438 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
RECQL P46063 1/20 0.38
PLIN5 Q00G26 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
KMT2A Q03164 5/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 4/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL31353019 0.77 TSHR (0.50) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL29110171 0.72 TSHR (0.47) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL909083 0.72 PDPK1 (0.57) TSHRCYP1A2MAPTLMNAKMT2A
SCHEMBL29110168 0.72 TSHR (0.47) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL2143458 0.71 TSHR (0.50) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL2143453 0.71 TSHR (0.50) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL14681859 0.69 LMNA (0.52) TSHRCYP1A2MAPTLMNAKMT2A
SCHEMBL31353023 0.69 CYP1B1 (0.53) MAPTLMNACYP1B1KMT2AMEN1
SCHEMBL31353022 0.69 CYP1B1 (0.53) MAPTMAOBCYP1B1KMT2AMEN1
SCHEMBL31353020 0.69 MAPT (0.53) TSHRMAPTLMNARECQLCYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133099-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2017-04-19 EP disclosed
US-9439974-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2016-09-13 US disclosed
EP-2253330-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2015-08-19 EP disclosed
EP-2277550-B1 Process for the preparation of conjugated biological molecules. POLYTHERICS LTD (GB) 2015-04-29 EP disclosed
US-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION ABZENA (CAMBRIDGE) LIMITED (GB) 2014-12-18 US disclosed
US-8816051-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2014-08-26 US disclosed
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2011-07-28 US disclosed
US-7939630-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2011-05-10 US disclosed
EP-2277550-A1 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2011-01-26 EP disclosed
EP-2253330-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2010-11-24 EP disclosed
EP-2133099-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2009-12-16 EP disclosed
US-20090298154-A1 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-12-03 US disclosed
US-7595292-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-09-29 US disclosed
EP-1648518-B1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LTD (GB) 2009-08-26 EP disclosed
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group ABZENA (CAMBRIDGE) LIMITED (GB) 2006-09-21 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 (4 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-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, F13A1, ZYX TSHR 1677/4885CYP1A2 1891/4885MAPT 4472/4885
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, ZYX, F13A1 TSHR 2322/4885CYP1A2 1977/4885MAPT 4643/4885
US-20090298154-A1 Conjugated biological molecules and their preparation F13B, ZYX, F13A1 TSHR 2322/4885CYP1A2 1977/4885MAPT 4643/4885
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group F13A1, F13B, SSB TSHR 2683/4885CYP1A2 3696/4885MAPT 4536/4885

“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.