SCHEMBL18241849

SCHEMBL18241849

CC(C)[CH]c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ PNMT P11086 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36

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
SCHEMBL16055929 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL247677 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL10322765 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL3435011 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL18242597 0.75 P2RX7 (0.32) —
SCHEMBL18378635 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2LMNATSHRSMN1; SMN2
SCHEMBL18242505 0.72 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2D6CYP3A4NFKB1
SCHEMBL249523 0.72 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL1547930 0.70 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL18242699 0.70 ALDH1A1 (0.35) ALDH1A1MAOA

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885KMT2A 3389/4885MEN1 4766/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885KMT2A 3389/4885MEN1 4766/4885

“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.

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