SCHEMBL10188784

SCHEMBL10188784

CCn1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.36
PKM P14618 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CREBBP Q92793 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34

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
Hydrochloric Acid SCHEMBL18110354 0.80 GABRA1 (0.38) ALDH1A1KMT2ALMNAPKML3MBTL1
SCHEMBL2756556 0.70
Hydrochloric Acid SCHEMBL4846902 0.69 ALDH1A1 (0.41) MAPTACHEALDH1A1KDM4EKMT2A
SCHEMBL18487593 0.68 L3MBTL1 (0.65) MAPTACHEALDH1A1KDM4ELMNA
SCHEMBL837713 0.68 CALM1 (0.36) ALDH1A1HPGDTSHR
SCHEMBL122055 0.68 CALM1 (0.43) ALDH1A1HPGDTSHR
SCHEMBL4760465 0.67
SCHEMBL22361386 0.67 TP53 (0.54) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL12601973 0.67 GAA (0.40) MAPTACHEALDH1A1KDM4EKMT2A
SCHEMBL174122 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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 (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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 MAPT 3265/4885ACHE 2743/4885ALDH1A1 2050/4885

“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.