SCHEMBL4770404

SCHEMBL4770404

O=C(C1(c2ccc(Br)cc2)CCCC1)C1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.53
ALDH1A1 P00352 3/20 0.50
HDAC4 P56524 3/20 0.49
AKR1C1 Q04828 1/20 0.48
HSD11B1 P28845 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 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
SCHEMBL6618787 0.91 HDAC1 (0.44) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1
SCHEMBL9966557 0.86 AKR1C1 (0.68) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1
SCHEMBL1141468 0.84 LMNA (0.53) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1
SCHEMBL2384832 0.84 AKR1C1 (0.66) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1
SCHEMBL14790435 0.84 HDAC1 (0.50) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1
SCHEMBL28915895 0.84 HDAC4 (0.50) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1
Hydrochloric Acid SCHEMBL28915897 0.84 AKR1C1 (0.66) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1
SCHEMBL14790445 0.82 HDAC1 (0.51) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1
SCHEMBL29604970 0.82 LMNA (0.55) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1
SCHEMBL4804303 0.82 HDAC1 (0.51) HDAC1ALDH1A1HDAC4AKR1C1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 EP disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 HDAC1 135/4885ALDH1A1 2989/4885HDAC4 206/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HDAC1 423/4885ALDH1A1 1071/4885HDAC4 760/4885

“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.