SCHEMBL6516804

SCHEMBL6516804

C(=C/N1CCCC1)\c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HSP90AA1 P07900 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
TRPA1 O75762 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LTA4H P09960 2/20 0.43
PARP1 P09874 1/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL6516806 1.00 KMT2A (0.48) KMT2AMEN1HSP90AA1MAOBALDH1A1
SCHEMBL3731571 0.98 HSP90AA1 (0.49) KMT2AMEN1HSP90AA1MAOBALDH1A1
SCHEMBL31547213 0.98 HSP90AA1 (0.49) KMT2AMEN1HSP90AA1MAOBALDH1A1
SCHEMBL5311679 0.98 HSP90AA1 (0.49) KMT2AMEN1HSP90AA1MAOBALDH1A1
SCHEMBL5572239 0.90 MAOB (0.50) KMT2AMEN1MAOBALDH1A1LMNA
SCHEMBL28546334 0.90 MAOB (0.50) KMT2AMEN1MAOBALDH1A1LMNA
SCHEMBL31547211 0.80 SIGMAR1 (0.58) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL22230801 0.80 GPR183 (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL22230800 0.80 GPR183 (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL13041010 0.80 SIGMAR1 (0.58) KMT2AMEN1ALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203166-A1 Indole-3-acetic acid derivatives CANCER RESEARCH TECHNOLOGY LIMITED 2005-09-15 US disclosed
US-6890948-B1 Use of indole-3-acetic acid derivatives in medicine CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-05-10 US disclosed
EP-1296676-B1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE CANCER REC TECH LTD (GB) 2004-01-28 EP disclosed
EP-1296676-A1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE Cancer Research Technology Limited (GB) 2003-04-02 EP disclosed
WO-2002002110-A1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-01-10 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 (1 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-20050203166-A1 Indole-3-acetic acid derivatives ADCY3, GPR3, HCAR3 KMT2A 2050/4885MEN1 3930/4885HSP90AA1 3805/4885

“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.