SCHEMBL2845262

SCHEMBL2845262

C=CCc1ccc(OC)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.58
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 3/20 0.53
ALOX15 P16050 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
CYP1A1 P04798 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP1B1 Q16678 3/20 0.48

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
SCHEMBL30105464 1.00 APLNR (0.58) APLNRALDH1A1CYP3A4ALOX15TP53
SCHEMBL28763162 0.88 PTPN1 (0.47) APLNRALDH1A1CYP3A4ALOX15TP53
SCHEMBL2842624 0.86 FLT3 (0.51) APLNRALDH1A1CYP3A4ALOX15TP53
SCHEMBL2848332 0.86 TSHR (0.47) APLNRALDH1A1CYP3A4ALOX15TP53
SCHEMBL2841579 0.86 PTPN1 (0.49) APLNRALDH1A1CYP3A4ALOX15TP53
SCHEMBL2848289 0.85 ALOX5 (0.56) ALDH1A1CYP3A4ALOX15TP53TSHR
SCHEMBL2096402 0.85 ALDH1A1 (0.57) APLNRALDH1A1CYP3A4ALOX15TP53
SCHEMBL2844393 0.84 TUBB4A (0.47) APLNRALDH1A1CYP3A4ALOX15TP53
SCHEMBL2846283 0.84 MAPT (0.49) ALDH1A1MAPTCNR2
SCHEMBL2844258 0.84 CNR2 (0.50) APLNRALDH1A1CYP3A4ALOX15TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502141-A4 PRINTABLE PAPER COATING COMPOSITION 1992-11-19 EP claimed
EP-0502141-A1 PRINTABLE PAPER COATING COMPOSITION BASF CORPORATION (US) 1992-09-09 EP claimed
WO-1992003288-A1 PRINTABLE PAPER COATING COMPOSITION BASF CORPORATION (US) 1992-03-05 WO claimed
CN-108640808-B Preparation method of ortho-trifluoromethyl substituted azide 河北工业大学 2020-12-29 CN disclosed
US-9497963-B2 Methods and compositions for control of gypsy moth, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2016-11-22 US disclosed
US-9497963-B2 Methods and compositions for control of gypsy moth, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2016-11-22 US disclosed
US-9497963-B2 Methods and compositions for control of gypsy moth, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2016-11-22 US disclosed
US-9125406-B2 Methods and compositions for control of cabbage looper, trichoplusia ni SIMON FRASER UNIVERSITY (CA) 2015-09-08 US disclosed
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 US disclosed
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2013-02-21 US disclosed
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2013-02-21 US disclosed
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar SIMON FRASER UNIVERSITY (CA) 2010-07-29 US disclosed
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar SIMON FRASER UNIVERSITY (CA) 2010-07-29 US disclosed
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni SIMON FRASER UNIVERSITY (CA) 2010-06-24 US disclosed
EP-1767514-B1 Process for the isomerisation of alkenylalkoxybenzenen SYMRISE GMBH & CO KG (DE) 2010-03-31 EP disclosed
US-20090069341-A1 INHIBITORS OF HSP90 CHENE PATRICK 2009-03-12 US disclosed
EP-1776110-A1 INHIBITORS OF HSP90 Novartis AG (CH) 2007-04-25 EP disclosed
US-20070073089-A1 Process for the Isomerisation of Alkenyl Alkoxybenzenes SYMRISE GMBH & CO. KG (DE) 2007-03-29 US disclosed
EP-1767514-A1 Process for the isomerisation of alkenylalkoxybenzenen Symrise GmbH & Co. KG (DE) 2007-03-28 EP disclosed
WO-2006010594-A1 INHIBITORS OF HSP90 NOVARTIS AG (CH) 2006-02-02 WO 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 (6 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-20090069341-A1 INHIBITORS OF HSP90 HSP90AB1, HSP90B1, HSP90AA1 APLNR 4843/4885ALDH1A1 2811/4885CYP3A4 3840/4885
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni CDV3, ETV1, BOLA2; BOLA2B APLNR 4143/4885ALDH1A1 2318/4885CYP3A4 2172/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 APLNR 3808/4885ALDH1A1 4074/4885CYP3A4 2941/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 APLNR 3739/4885ALDH1A1 4132/4885CYP3A4 2892/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X APLNR 4187/4885ALDH1A1 2444/4885CYP3A4 1839/4885
US-20070073089-A1 Process for the Isomerisation of Alkenyl Alkoxybenzenes ADH1C, ADH1A, AKR7A2 APLNR 2941/4885ALDH1A1 53/4885CYP3A4 40/4885

“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.