SCHEMBL18655578

SCHEMBL18655578

CCCn1c2ccc(C)cc2c2cc3ccccc3nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ POLB P06746 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ CASP1 P29466 2/20 0.53
▸ CASP7 P55210 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ AHR P35869 1/20 0.50
▸ CREBBP Q92793 1/20 0.50
▸ PGR P06401 1/20 0.49
▸ RORA P35398 1/20 0.49
▸ RORC P51449 1/20 0.49
▸ RORB Q92753 1/20 0.49
▸ THRB P10828 1/20 0.44

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
SCHEMBL18655577 0.86 MAPT (0.67) MAPTPOLBTSHRMAPK1LMNA
SCHEMBL18655576 0.86 MAPT (0.57) MAPTPOLBTSHRMAPK1LMNA
SCHEMBL17274959 0.84 MAPT (0.50) MAPTPOLBTSHRMAPK1LMNA
SCHEMBL17274923 0.84 THRB (0.42) MAPTPOLBTSHRMAPK1LMNA
SCHEMBL29282173 0.82 MEN1 (0.68) MAPTTSHRMAPK1LMNATDP1
SCHEMBL13304767 0.76 RORA (0.55) MAPTPOLBLMNAKMT2APGR
SCHEMBL9706173 0.75 MAPT (0.64) MAPTPOLBTSHRMAPK1LMNA
SCHEMBL15458667 0.75 HPGD (0.61) MAPTPOLBTSHRMAPK1LMNA
SCHEMBL19271263 0.75 MAPT (0.65) MAPTPOLBTSHRMAPK1LMNA
SCHEMBL27165249 0.74 TOP2A (0.56) MAPTPOLBTSHRMAPK1LMNA

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-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT MEDICAL UNIVERSITY OF SOUTH CAROLINA 2017-03-23 — — 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-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT AZI2, DNMT1, TET3 MAPT 3584/4885POLB 864/4885TSHR 3195/4885

“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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