SCHEMBL3657017

SCHEMBL3657017

C=CC(O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
SRD5A2 P31213 5/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
HTT P42858 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 2/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL9193031 0.80 KMT2A (0.65) KMT2ASRD5A2ALDH1A1L3MBTL1CA1
SCHEMBL28744386 0.78 KMT2A (0.67) KMT2ASRD5A2ALDH1A1CA1CA2
SCHEMBL75998 0.78 ALDH1A1 (0.39) KMT2AALDH1A1TSHRPKMCA4
SCHEMBL175074 0.78 TSHR (0.44) KMT2ASRD5A2ALDH1A1L3MBTL1CA1
SCHEMBL11314174 0.77 KMT2A (0.56) KMT2ASRD5A2ALDH1A1L3MBTL1CA1
SCHEMBL24086152 0.77 HTT (0.63) ALDH1A1L3MBTL1TSHRTP53HTT
Hydrochloric Acid SCHEMBL11310398 0.76 KMT2A (0.54) KMT2ASRD5A2ALDH1A1L3MBTL1CA1
SCHEMBL9268887 0.76 KMT2A (0.50) KMT2ASRD5A2ALDH1A1L3MBTL1CA1
SCHEMBL8634740 0.75 KMT2A (0.49) KMT2ASRD5A2ALDH1A1L3MBTL1CA1
SCHEMBL10867743 0.75 KMT2A (0.74) KMT2ASRD5A2ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041234-B2 Methods for synthesis of liquid crystals SOUTHWEST RESEARCH INSTITUTE (US) 2006-05-09 US claimed
EP-1572716-A4 METHODS FOR SYNTHESIS OF LIQUID CRYSTALS SOUTHWEST RES INST (US) 2005-09-14 EP claimed
EP-1572716-A2 METHODS FOR SYNTHESIS OF LIQUID CRYSTALS Southwest Research Institute (US) 2005-09-14 EP claimed
US-20030055280-A1 Methods for synthesis of liquid crystals SOUTHWEST RESEARCH INSTITUTE 2003-03-20 US claimed
WO-2002066493-A2 METHODS FOR SYNTHESIS OF LIQUID CRYSTALS SOUTHWEST RESEARCH INSTITUTE (US) 2002-08-29 WO claimed
EP-1366133-B1 NOVEL METHODS AND BLENDS FOR CONTROLLING REHOLOGY AND TRANSITION TEMPERATURE OF LIQUID CRYSTALS SOUTHWEST RES INST (US) 2010-03-24 EP disclosed
EP-1370512-B1 NOVEL MESOGENS SOUTHWEST RES INST (US) 2009-07-29 EP disclosed
EP-1412447-B1 NOVEL MESOGENS AND METHODS FOR THEIR SYNTHESIS AND USE SOUTHWEST RES INST (US) 2008-09-10 EP disclosed
US-7238831-B2 Mesogens SOUTHWEST RESEARCH INSTITUTE (US) 2007-07-03 US disclosed
EP-1572716-B1 METHODS FOR SYNTHESIS OF LIQUID CRYSTALS SOUTHWEST RES INST (US) 2006-09-27 EP disclosed
US-7108801-B2 Methods and blends for controlling rheology and transition temperature of liquid crystals SOUTHWEST REASEARCH INSTITUTE (US) 2006-09-19 US disclosed
US-7098359-B2 Mesogens and methods for their synthesis and use SOUTHWEST RESEARCH INSTITUTE (US) 2006-08-29 US disclosed
US-20030055280-A1 Methods for synthesis of liquid crystals SOUTHWEST RESEARCH INSTITUTE 2003-03-20 US disclosed
US-20030036609-A1 Novel methods and blends for controlling rheology and transition temperature of liquid crystals NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-02-20 US disclosed
WO-2003006570-A2 NOVEL MESOGENS AND METHODS FOR THEIR SYNTHESIS AND USE SOUTHWEST RESEARCH INSTITUTE (US) 2003-01-23 WO disclosed
US-20020177727-A1 Novel mesogens NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-28 US disclosed
WO-2002066493-A2 METHODS FOR SYNTHESIS OF LIQUID CRYSTALS SOUTHWEST RESEARCH INSTITUTE (US) 2002-08-29 WO disclosed
WO-2002059553-A2 NOVEL METHODS AND BLENDS FOR CONTROLLING REHOLOGY AND TRANSITION TEMPERATURE OF LIQUID CRYSTALS SOUTHWEST RESEARCH INSTITUTE (US) 2002-08-01 WO disclosed
WO-2002059227-A2 NOVEL MESOGENS SOUTHWEST RESEARCH INSTITUTE (US) 2002-08-01 WO disclosed
US-4661576-A LIQUID CRYSTALS THOMSON-CSF (FR) 1987-04-28 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-20030055280-A1 Methods for synthesis of liquid crystals WEE1, WEE2, NUP188 KMT2A 4008/4885SRD5A2 2864/4885ALDH1A1 4432/4885
US-20020177727-A1 Novel mesogens AREG, MAG, GMFG KMT2A 2256/4885SRD5A2 2367/4885ALDH1A1 3700/4885

“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.