SCHEMBL7043124

SCHEMBL7043124

CCCC(c1ccccc1)C(C)[O]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
AOC3 Q16853 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HKDC1 Q2TB90 1/20 0.39
LMNA P02545 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
RIPK1 Q13546 1/20 0.38
MME P08473 1/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SMPD1 P17405 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37

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
SCHEMBL10831187 0.85 TAAR1 (0.47) TAAR1AOC3SMN1; SMN2POLBNPC1
SCHEMBL28827288 0.85 ALDH1A1 (0.43) TAAR1POLBCES2CES1
SCHEMBL8157573 0.84 AOC3 (0.48) TAAR1AOC3HKDC1LMNASLC6A2
SCHEMBL7039527 0.83 HKDC1 (0.50) TAAR1POLBHKDC1LMNACES2
SCHEMBL7511093 0.83 TAAR1 (0.59) TAAR1AOC3SMN1; SMN2HKDC1LMNA
SCHEMBL7511084 0.83 TAAR1 (0.59) TAAR1AOC3SMN1; SMN2HKDC1LMNA
SCHEMBL2464535 0.81 TAAR1 (0.47) TAAR1AOC3SMN1; SMN2POLBHKDC1
SCHEMBL12803686 0.79 TAAR1 (0.45) TAAR1AOC3SMN1; SMN2HKDC1LMNA
SCHEMBL22029995 0.79 TAAR1 (0.45) TAAR1AOC3SMN1; SMN2POLBNPC1
SCHEMBL7043126 0.79 AOC3 (0.50) TAAR1AOC3POLBHKDC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 TAAR1 3051/4885AOC3 157/4885SMN1; SMN2 4594/4885

“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.