SCHEMBL220185

SCHEMBL220185

COc1ccc(/C=C(/C=O)C(C)C)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
AOX1 Q06278 1/20 0.61
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
TUBB1 Q9H4B7 14/20 0.50
APP P05067 1/20 0.50
TUBB4A P04350 5/20 0.49
TUBB P07437 5/20 0.49
TUBA3C P0DPH7 5/20 0.49
TUBA1B P68363 5/20 0.49
TUBA4A P68366 5/20 0.49
TUBB4B P68371 5/20 0.49
TUBB3 Q13509 5/20 0.49
TUBB2A Q13885 5/20 0.49
TUBB8 Q3ZCM7 5/20 0.49
TUBA3E Q6PEY2 5/20 0.49
TUBA1A Q71U36 5/20 0.49
TUBA1C Q9BQE3 5/20 0.49
TUBB6 Q9BUF5 5/20 0.49
TUBB2B Q9BVA1 5/20 0.49

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
SCHEMBL218831 1.00 ALDH1A1 (0.61) ALDH1A1AOX1MAPTCYP1A2TUBB1
SCHEMBL2564338 0.88 ALDH1A1 (0.56) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL2564332 0.88 ALDH1A1 (0.56) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL2564336 0.88 ALDH1A1 (0.56) ALDH1A1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL222375 0.82 KDM4E (0.52) ALDH1A1MAPTCYP1A2APPMEN1
SCHEMBL221188 0.82 KDM4E (0.52) ALDH1A1MAPTCYP1A2APPMEN1
SCHEMBL222376 0.80 PDE4B (0.46) ALDH1A1AOX1CYP1A2SMN1; SMN2TDP1
SCHEMBL221731 0.80 PDE4B (0.46) ALDH1A1AOX1CYP1A2SMN1; SMN2TDP1
SCHEMBL220599 0.80 TDP1 (0.44) ALDH1A1AOX1MAPTCYP1A2MEN1
SCHEMBL221732 0.80 PDE4B (0.46) ALDH1A1AOX1CYP1A2SMN1; SMN2TDP1

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-8088955-B2 Alpha-substituted α,β-unsaturated E- or Z-aldehydes, use thereof, and processes for their preparation α,β DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2012-01-03 US claimed
US-20100234630-A1 ALPHA-SUBSTITUTED A,B-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION A,B DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2010-09-16 US claimed
EP-2178816-A1 ALPHA-SUBSTITUTED , -UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION , DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2010-04-28 EP claimed
WO-2009007462-A1 ALPHA-SUBSTITUTED α,β-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION α,β DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2009-01-15 WO claimed
US-8088955-B2 Alpha-substituted α,β-unsaturated E- or Z-aldehydes, use thereof, and processes for their preparation α,β DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2012-01-03 US disclosed
US-20110301365-A1 ALPHA-SUBSTITUTED ALPHA, BETA-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION ALPHA, BETA DSM IP ASSETS B.V. (NL) 2011-12-08 US disclosed
US-20100234630-A1 ALPHA-SUBSTITUTED A,B-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION A,B DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2010-09-16 US disclosed
EP-2178816-A1 ALPHA-SUBSTITUTED , -UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION , DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2010-04-28 EP disclosed
WO-2009007462-A1 ALPHA-SUBSTITUTED α,β-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION α,β DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2009-01-15 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 (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-20110301365-A1 ALPHA-SUBSTITUTED ALPHA, BETA-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION ALPHA, BETA CYP8B1, ECH1, NR1H2 ALDH1A1 70/4885AOX1 342/4885MAPT 3984/4885
US-20100234630-A1 ALPHA-SUBSTITUTED A,B-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION A,B CYP8B1, CYP1B1, ADRA1A ALDH1A1 46/4885AOX1 267/4885MAPT 4178/4885

“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.