SCHEMBL7587595

SCHEMBL7587595

[CH2]CCCCC1CCc2ccccc2S1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
GRIN2B Q13224 4/20 0.32
GRIN1 Q05586 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL6155707 0.84
SCHEMBL8702582 0.83 SIGMAR1 (0.37) SIGMAR1
SCHEMBL9722865 0.75 SIGMAR1 (0.42) SIGMAR1GRIN2B
SCHEMBL8368477 0.70 SIGMAR1 (0.42) SIGMAR1FFAR4
SCHEMBL6241370 0.69 HTR6 (0.47) SIGMAR1
SCHEMBL30779196 0.69 CA2 (0.40) SIGMAR1
SCHEMBL15547683 0.69 SIGMAR1 (0.42) SIGMAR1GRIN2B
SCHEMBL6721448 0.66 SIGMAR1 (0.43) SIGMAR1
SCHEMBL11668662 0.66 MTNR1A (0.36) SIGMAR1FFAR4
SCHEMBL14861864 0.66 DRD3 (0.36) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848696-B1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2002-08-28 EP disclosed
US-20020082419-A1 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. 2002-06-27 US disclosed
US-6313163-B1 ADMINISTERING 2,4-PENTADIENOIC ACID DERIVATIVE FOR THERAPY OF DISEASE OR CONDITION RESPONSIVE TO THERAPY BY RETINOIDS ALLERGEN SALES, INC. 2001-11-06 US disclosed
US-6114533-A A COMPOUNDS HAVING A 2,4-PENTADIENOIC ACID OR 2,4-PENTADIENOIC ACID ESTER FUNCTION WHICH IS SUBSTITUTED IN THE 5-POSITION WITH TETRAHYDROQUINOLINYL GROUP ALLERGAN SALES, INC. (US) 2000-09-05 US disclosed
US-6034242-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 2000-03-07 US disclosed
US-5917082-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 1999-06-29 US disclosed
WO-1999008992-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1999-02-25 WO disclosed
US-5817836-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-10-06 US disclosed
US-5780647-A 2,4-Pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-07-14 US disclosed
US-5663367-A REGULATOR OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS ALLERGAN (US) 1997-09-02 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-20020082419-A1 2,4-pentadienoic acid derivatives having retinoid-like biological activity RXRA, RXRB, CBR1 SIGMAR1 201/4885GRIN2B 2042/4885GRIN1 1473/4885

“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.