SCHEMBL24611536

SCHEMBL24611536

O=C(c1ccccc1)c1ccc(C(F)(F)F)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CES1 P23141 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SRD5A2 P31213 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ GLA P06280 1/20 0.38

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
SCHEMBL9650689 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL17222015 0.79 NOTUM (0.44) ALDH1A1TSHRHSD17B10SRD5A2TDP1
SCHEMBL10936301 0.75 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9652626 0.74 KMT2A (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9650735 0.73 ELANE (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16828396 0.73 PARP1 (0.36) KMT2AHSD17B2
SCHEMBL24113412 0.73 NOTUM (0.39) NPC1RAB9ACYP1A2ATMHSD17B2
SCHEMBL9792276 0.72 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL14301059 0.72 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9792295 0.72 MEN1 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A

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-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-09-29 — — US disclosed
EP-4026821-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION National University Corporation Hokkaido University (JP) 2022-07-13 — — 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-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION PIEZO1, PPOX, TAOK1 ALDH1A1 2606/4885MEN1 269/4885KMT2A 3932/4885

“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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